4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide

C20H24ClN3O2 — CID 109204886

IUPAC4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H24ClN3O2/c1-13-10-17(19(26-2)12-16(13)21)23-15-8-9-22-18(11-15)20(25)24-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyWDFJTSZYYAVGTI-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.86
Rot. Bonds5

About 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide

4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide (PubChem CID 109204886) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
PubChem CID109204886
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H24ClN3O2/c1-13-10-17(19(26-2)12-16(13)21)23-15-8-9-22-18(11-15)20(25)24-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyWDFJTSZYYAVGTI-UHFFFAOYSA-N
XLogP4.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
4-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204841
2-(4-chloro-2-methoxy-5-methylanilino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109311611
4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204837
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740
4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide
CID 62924493
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
CID 113036939
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide (CID 109204886) is 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide is COc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is WDFJTSZYYAVGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-13-10-17(19(26-2)12-16(13)21)23-15-8-9-22-18(11-15)20(25)24-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide?
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 109204886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).