N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide

C16H15ClN4O2 — CID 86868002

IUPACN-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2nc3cc(Cl)ccc3n2C)cn1
InChIInChI=1S/C16H15ClN4O2/c1-3-23-14-7-4-10(9-18-14)15(22)20-16-19-12-8-11(17)5-6-13(12)21(16)2/h4-9H,3H2,1-2H3,(H,19,20,22)
InChIKeyDQFVBLNYEBVOAD-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.27
Rot. Bonds4

About N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide

N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide (PubChem CID 86868002) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
PubChem CID86868002
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2nc3cc(Cl)ccc3n2C)cn1
InChIInChI=1S/C16H15ClN4O2/c1-3-23-14-7-4-10(9-18-14)15(22)20-16-19-12-8-11(17)5-6-13(12)21(16)2/h4-9H,3H2,1-2H3,(H,19,20,22)
InChIKeyDQFVBLNYEBVOAD-UHFFFAOYSA-N
XLogP3.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-(5-fluoro-1-methylbenzimidazol-2-yl)pyridine-3-carboxamide
CID 75375145
6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
N-(5-chloro-1-methylbenzimidazol-2-yl)-4-methoxy-3-pyridin-2-ylbenzamide
CID 99718321
N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
CID 46488346
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
CID 142463361
N-(1-benzylimidazol-2-yl)-6-ethoxypyridine-3-carboxamide
CID 51089674
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
CID 51099324
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide
CID 95047950
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122300559

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide (CID 86868002) is N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2nc3cc(Cl)ccc3n2C)cn1.
What is the InChIKey of N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide?
The InChIKey is DQFVBLNYEBVOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-3-23-14-7-4-10(9-18-14)15(22)20-16-19-12-8-11(17)5-6-13(12)21(16)2/h4-9H,3H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide?
N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methylbenzimidazol-2-yl)-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 86868002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).