N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide

C19H22ClN3O — CID 109204288

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NC3CCCC3)ccn2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O/c1-12-9-13(2)18(16(20)10-12)23-19(24)17-11-15(7-8-21-17)22-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyCPSKZUMMCFLBCN-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.96
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide (PubChem CID 109204288) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
PubChem CID109204288
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NC3CCCC3)ccn2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O/c1-12-9-13(2)18(16(20)10-12)23-19(24)17-11-15(7-8-21-17)22-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyCPSKZUMMCFLBCN-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606
N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341311
N-cyclopentyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109204088
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205952
N-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109221343
4-(cyclopentylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109204359
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide (CID 109204288) is N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide is Cc1cc(C)c(NC(=O)c2cc(NC3CCCC3)ccn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide?
The InChIKey is CPSKZUMMCFLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-12-9-13(2)18(16(20)10-12)23-19(24)17-11-15(7-8-21-17)22-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109204288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).