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Home > Pyridines > 478259-58-4
478259-58-4 | 4-butanoyl-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS No: 478259-58-4 Catalog No: AG00IR4Y MDL No:MFCD02571069
Product Description
Catalog Number:
AG00IR4Y
Chemical Name:
4-butanoyl-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS Number:
478259-58-4
Molecular Formula:
C16H19N3O2
Molecular Weight:
285.3410
MDL Number:
MFCD02571069
IUPAC Name:
4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C16H19N3O2/c1-2-5-15(20)12-10-14(19-11-12)16(21)18-9-7-13-6-3-4-8-17-13/h3-4,6,8,10-11,19H,2,5,7,9H2,1H3,(H,18,21)
InChI Key:
JUGAEHLWPWYALR-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1c[nH]c(c1)C(=O)NCCc1ccccn1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.347g/mol
Monoisotopic Mass:
285.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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