3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide

C20H22ClN3O2 — CID 109103094

IUPAC3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H22ClN3O2/c1-13-9-16(21)7-8-18(13)24-20(26)15-10-14(11-22-12-15)19(25)23-17-5-3-2-4-6-17/h7-12,17H,2-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyWCUYHWWLMSNXBW-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.36
Rot. Bonds4

About 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide

3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide (PubChem CID 109103094) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
PubChem CID109103094
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H22ClN3O2/c1-13-9-16(21)7-8-18(13)24-20(26)15-10-14(11-22-12-15)19(25)23-17-5-3-2-4-6-17/h7-12,17H,2-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyWCUYHWWLMSNXBW-UHFFFAOYSA-N
XLogP4.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597
3-N-(3-chlorophenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103090
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
3-N-(3-chlorophenyl)-5-N-cyclopentylpyridine-3,5-dicarboxamide
CID 109102765
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109107049
5-N-cyclopentyl-3-N-(3,4-dichlorophenyl)pyridine-3,5-dicarboxamide
CID 109102814
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225802
5-N-cycloheptyl-3-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109107035
5-N-cyclopentyl-3-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109102757
N-(4-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227287

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide (CID 109103094) is 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide?
The InChIKey is WCUYHWWLMSNXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-13-9-16(21)7-8-18(13)24-20(26)15-10-14(11-22-12-15)19(25)23-17-5-3-2-4-6-17/h7-12,17H,2-6H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide?
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide has a molecular weight of 371.87 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).