N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide

C15H14N4O — CID 30157421

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4O/c1-10(17-15(20)11-5-4-8-16-9-11)14-18-12-6-2-3-7-13(12)19-14/h2-10H,1H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyXHZSYYYXNDLUGM-JTQLQIEISA-N
MW266.30 g/mol
LogP2.45
Rot. Bonds3

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 30157421) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID30157421
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4O/c1-10(17-15(20)11-5-4-8-16-9-11)14-18-12-6-2-3-7-13(12)19-14/h2-10H,1H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyXHZSYYYXNDLUGM-JTQLQIEISA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
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
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 167797492
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 97213270
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 62674077

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide (CID 30157421) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cccnc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is XHZSYYYXNDLUGM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N4O/c1-10(17-15(20)11-5-4-8-16-9-11)14-18-12-6-2-3-7-13(12)19-14/h2-10H,1H3,(H,17,20)(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 30157421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).