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439095-93-9 | 4-cyclopropanecarbonyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 439095-93-9 Catalog No: AG00IN5F MDL No:MFCD03012298
Product Description
Catalog Number:
AG00IN5F
Chemical Name:
4-cyclopropanecarbonyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
439095-93-9
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
MDL Number:
MFCD03012298
IUPAC Name:
4-(cyclopropanecarbonyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C15H15N3O2/c19-14(11-3-4-11)12-6-13(17-9-12)15(20)18-8-10-2-1-5-16-7-10/h1-2,5-7,9,11,17H,3-4,8H2,(H,18,20)
InChI Key:
IMJJIGLERUDNGQ-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)C1CC1)NCc1cccnc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/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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