N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide

C16H16N4O — CID 16966659

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccccn1)c1nc2ccccc2n1C
InChIInChI=1S/C16H16N4O/c1-11(18-16(21)13-8-5-6-10-17-13)15-19-12-7-3-4-9-14(12)20(15)2/h3-11H,1-2H3,(H,18,21)
InChIKeyHAPXXWXQFPTPBA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds3

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide

N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 16966659) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID16966659
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccccn1)c1nc2ccccc2n1C
InChIInChI=1S/C16H16N4O/c1-11(18-16(21)13-8-5-6-10-17-13)15-19-12-7-3-4-9-14(12)20(15)2/h3-11H,1-2H3,(H,18,21)
InChIKeyHAPXXWXQFPTPBA-UHFFFAOYSA-N
XLogP2.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
N-[1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966726
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 95772183
4-fluoro-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 751122
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966746
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966730
N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966796
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide (CID 16966659) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ccccn1)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is HAPXXWXQFPTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(18-16(21)13-8-5-6-10-17-13)15-19-12-7-3-4-9-14(12)20(15)2/h3-11H,1-2H3,(H,18,21).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).