N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C16H16N4O2 — CID 71944245

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCn1c(CNC(=O)c2ccc(=O)[nH]c2)nc2ccccc21
InChIInChI=1S/C16H16N4O2/c1-2-20-13-6-4-3-5-12(13)19-14(20)10-18-16(22)11-7-8-15(21)17-9-11/h3-9H,2,10H2,1H3,(H,17,21)(H,18,22)
InChIKeyJQZFGHBMAJLUPM-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.67
Rot. Bonds4

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

N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 71944245) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID71944245
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCn1c(CNC(=O)c2ccc(=O)[nH]c2)nc2ccccc21
InChIInChI=1S/C16H16N4O2/c1-2-20-13-6-4-3-5-12(13)19-14(20)10-18-16(22)11-7-8-15(21)17-9-11/h3-9H,2,10H2,1H3,(H,17,21)(H,18,22)
InChIKeyJQZFGHBMAJLUPM-UHFFFAOYSA-N
XLogP1.67
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 18116740
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 90650149
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24532368
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 77090502
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55408980
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 55408744
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 39969798

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 71944245) is N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is CCn1c(CNC(=O)c2ccc(=O)[nH]c2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JQZFGHBMAJLUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-20-13-6-4-3-5-12(13)19-14(20)10-18-16(22)11-7-8-15(21)17-9-11/h3-9H,2,10H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71944245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).