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478259-36-8 | 4-propanoyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 478259-36-8 Catalog No: AG00ISG7 MDL No:MFCD02571052
Product Description
Catalog Number:
AG00ISG7
Chemical Name:
4-propanoyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
478259-36-8
Molecular Formula:
C14H15N3O2
Molecular Weight:
257.2878
MDL Number:
MFCD02571052
IUPAC Name:
4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C14H15N3O2/c1-2-13(18)11-6-12(16-9-11)14(19)17-8-10-4-3-5-15-7-10/h3-7,9,16H,2,8H2,1H3,(H,17,19)
InChI Key:
VTKMDTYNYACQQU-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c[nH]c(c1)C(=O)NCc1cccnc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.293g/mol
Monoisotopic Mass:
257.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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