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Home > Pyridines > 439120-81-7
439120-81-7 | 4-(2-phenylacetyl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS No: 439120-81-7 Catalog No: AG00IRHG MDL No:MFCD03012381
Product Description
Catalog Number:
AG00IRHG
Chemical Name:
4-(2-phenylacetyl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS Number:
439120-81-7
Molecular Formula:
C20H19N3O2
Molecular Weight:
333.3838
MDL Number:
MFCD03012381
IUPAC Name:
4-(2-phenylacetyl)-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C20H19N3O2/c24-19(12-15-6-2-1-3-7-15)16-13-18(23-14-16)20(25)22-11-9-17-8-4-5-10-21-17/h1-8,10,13-14,23H,9,11-12H2,(H,22,25)
InChI Key:
AVQLPXLOISNVBA-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)Cc1ccccc1)NCCc1ccccn1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.391g/mol
Monoisotopic Mass:
333.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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