4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide

C21H24ClN3O3 — CID 139347906

IUPAC4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1CC(=O)Nc1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H24ClN3O3/c1-28-19-8-7-15(22)11-14(19)12-20(26)24-17-9-10-23-18(13-17)21(27)25-16-5-3-2-4-6-16/h7-11,13,16H,2-6,12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyHLJQCVSKDMDDDV-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.99
Rot. Bonds6

About 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide

4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide (PubChem CID 139347906) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
PubChem CID139347906
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1CC(=O)Nc1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H24ClN3O3/c1-28-19-8-7-15(22)11-14(19)12-20(26)24-17-9-10-23-18(13-17)21(27)25-16-5-3-2-4-6-16/h7-11,13,16H,2-6,12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyHLJQCVSKDMDDDV-UHFFFAOYSA-N
XLogP3.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347813
4-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204841
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081455
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204837
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
4-[2-(4-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109204781
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348177

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide (CID 139347906) is 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide is COc1ccc(Cl)cc1CC(=O)Nc1ccnc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is HLJQCVSKDMDDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-28-19-8-7-15(22)11-14(19)12-20(26)24-17-9-10-23-18(13-17)21(27)25-16-5-3-2-4-6-16/h7-11,13,16H,2-6,12H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide?
4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 401.89 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 139347906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).