N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

C16H16N4O2 — CID 95233258

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H16N4O2/c1-10(15-18-12-5-3-4-6-13(12)19-15)17-16(22)11-7-8-14(21)20(2)9-11/h3-10H,1-2H3,(H,17,22)(H,18,19)/t10-/m1/s1
InChIKeyRTXGCJQGUPHNGL-SNVBAGLBSA-N
MW296.33 g/mol
LogP1.75
Rot. Bonds3

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 95233258) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID95233258
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H16N4O2/c1-10(15-18-12-5-3-4-6-13(12)19-15)17-16(22)11-7-8-14(21)20(2)9-11/h3-10H,1-2H3,(H,17,22)(H,18,19)/t10-/m1/s1
InChIKeyRTXGCJQGUPHNGL-SNVBAGLBSA-N
XLogP1.75
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634507
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide
CID 60509484
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634562
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 110247005
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74232246

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 95233258) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is RTXGCJQGUPHNGL-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10(15-18-12-5-3-4-6-13(12)19-15)17-16(22)11-7-8-14(21)20(2)9-11/h3-10H,1-2H3,(H,17,22)(H,18,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 95233258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).