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

C19H22ClN3O — CID 109204837

IUPAC4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H22ClN3O/c1-13-11-14(20)7-8-17(13)22-16-9-10-21-18(12-16)19(24)23-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyQNQQVJMDFOBIIS-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.85
Rot. Bonds4

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

4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide (PubChem CID 109204837) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
PubChem CID109204837
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccnc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H22ClN3O/c1-13-11-14(20)7-8-17(13)22-16-9-10-21-18(12-16)19(24)23-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,21,22)(H,23,24)
InChIKeyQNQQVJMDFOBIIS-UHFFFAOYSA-N
XLogP4.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204841
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070
4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765
N-cyclopentyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109204088
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347813
N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
CID 109201867

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide (CID 109204837) is 4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide is Cc1cc(Cl)ccc1Nc1ccnc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is QNQQVJMDFOBIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-13-11-14(20)7-8-17(13)22-16-9-10-21-18(12-16)19(24)23-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide?
4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 109204837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).