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478259-70-0 | 4-butanoyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 478259-70-0 Catalog No: AG00IR51 MDL No:MFCD02571080
Product Description
Catalog Number:
AG00IR51
Chemical Name:
4-butanoyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
478259-70-0
Molecular Formula:
C15H17N3O2
Molecular Weight:
271.3144
MDL Number:
MFCD02571080
IUPAC Name:
4-butanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C15H17N3O2/c1-2-4-14(19)12-7-13(17-10-12)15(20)18-9-11-5-3-6-16-8-11/h3,5-8,10,17H,2,4,9H2,1H3,(H,18,20)
InChI Key:
CDJLMLOBQUVOIO-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1c[nH]c(c1)C(=O)NCc1cccnc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.32g/mol
Monoisotopic Mass:
271.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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