6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide

C16H15ClN4O — CID 40716431

IUPAC6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C16H15ClN4O/c1-11-20-13-4-2-3-5-14(13)21(11)9-8-18-16(22)12-6-7-15(17)19-10-12/h2-7,10H,8-9H2,1H3,(H,18,22)
InChIKeySABFXVICPFTJIE-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.82
Rot. Bonds4

About 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide

6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 40716431) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID40716431
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C16H15ClN4O/c1-11-20-13-4-2-3-5-14(13)21(11)9-8-18-16(22)12-6-7-15(17)19-10-12/h2-7,10H,8-9H2,1H3,(H,18,22)
InChIKeySABFXVICPFTJIE-UHFFFAOYSA-N
XLogP2.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 33440660
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 16574521
3-chloro-4-ethoxy-5-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 26444068
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 71827935
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 18206073
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide (CID 40716431) is 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide is Cc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is SABFXVICPFTJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-11-20-13-4-2-3-5-14(13)21(11)9-8-18-16(22)12-6-7-15(17)19-10-12/h2-7,10H,8-9H2,1H3,(H,18,22).
What are the key properties of 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 314.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 40716431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).