3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C24H18N4O — CID 42748986

IUPAC3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccccc2-c2ccccc2)c1C(=O)NCc1ccncc1
InChIInChI=1S/C24H18N4O/c25-16-20-12-15-28(23(20)24(29)27-17-18-10-13-26-14-11-18)22-9-5-4-8-21(22)19-6-2-1-3-7-19/h1-15H,17H2,(H,27,29)
InChIKeyOKQRAWGNHUMUGG-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.34
Rot. Bonds5

About 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 42748986) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID42748986
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccccc2-c2ccccc2)c1C(=O)NCc1ccncc1
InChIInChI=1S/C24H18N4O/c25-16-20-12-15-28(23(20)24(29)27-17-18-10-13-26-14-11-18)22-9-5-4-8-21(22)19-6-2-1-3-7-19/h1-15H,17H2,(H,27,29)
InChIKeyOKQRAWGNHUMUGG-UHFFFAOYSA-N
XLogP4.34
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(3-methylbutyl)-1-(2-phenylphenyl)pyrrole-2-carboxamide
CID 5145646
1-(4-tert-butylphenyl)-3-cyano-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42750961
3-cyano-N-[(4-fluorophenyl)methyl]-1-(2-phenoxyphenyl)pyrrole-2-carboxamide
CID 4666115
N-benzyl-3-cyano-1-(4-methylphenyl)pyrrole-2-carboxamide
CID 809840
N-benzyl-3-cyano-1-(3,4-dimethylphenyl)pyrrole-2-carboxamide
CID 809837
3-cyano-1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 5135449
3-cyano-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)pyrrole-2-carboxamide
CID 42748442
2-[[3-cyano-1-(2-ethylphenyl)pyrrole-2-carbonyl]amino]ethyl-dimethylazanium
CID 7124123
N-[(2-phenylphenyl)methyl]pyridine-4-carboxamide
CID 23497805
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
3-cyano-1-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide
CID 3975419
3-N-(2-cyanophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055249

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 42748986) is 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is N#Cc1ccn(-c2ccccc2-c2ccccc2)c1C(=O)NCc1ccncc1.
What is the InChIKey of 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is OKQRAWGNHUMUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c25-16-20-12-15-28(23(20)24(29)27-17-18-10-13-26-14-11-18)22-9-5-4-8-21(22)19-6-2-1-3-7-19/h1-15H,17H2,(H,27,29).
What are the key properties of 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(2-phenylphenyl)-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42748986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).