N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide

C21H18N4O2 — CID 3653845

IUPACN-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(=O)[nH]c1
InChIInChI=1S/C21H18N4O2/c26-19-11-10-15(13-22-19)21(27)25-18(12-14-6-2-1-3-7-14)20-23-16-8-4-5-9-17(16)24-20/h1-11,13,18H,12H2,(H,22,26)(H,23,24)(H,25,27)
InChIKeyNPHGQQXJCZJJJP-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.96
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 3653845) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID3653845
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(=O)[nH]c1
InChIInChI=1S/C21H18N4O2/c26-19-11-10-15(13-22-19)21(27)25-18(12-14-6-2-1-3-7-14)20-23-16-8-4-5-9-17(16)24-20/h1-11,13,18H,12H2,(H,22,26)(H,23,24)(H,25,27)
InChIKeyNPHGQQXJCZJJJP-UHFFFAOYSA-N
XLogP2.96
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide
CID 18107744
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(methylsulfonylmethyl)benzamide
CID 46561468
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-nitrobenzamide
CID 2109149
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40633986
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-chloro-4,5-difluorobenzamide
CID 2330762
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
4-[(E)-3-[[1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46561466
methyl 3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]carbamoyl]-5-nitrobenzoate
CID 46561428
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 107861304
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 3653845) is N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NPHGQQXJCZJJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-19-11-10-15(13-22-19)21(27)25-18(12-14-6-2-1-3-7-14)20-23-16-8-4-5-9-17(16)24-20/h1-11,13,18H,12H2,(H,22,26)(H,23,24)(H,25,27).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 3653845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).