N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

C19H22ClN3O — CID 109218235

IUPACN-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCCC(C)C3)ccn2)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-13-4-3-9-23(12-13)16-7-8-21-18(11-16)19(24)22-15-6-5-14(2)17(20)10-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,22,24)
InChIKeyMCSMJYFZKXQDEH-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.53
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109218235) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109218235
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCCC(C)C3)ccn2)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-13-4-3-9-23(12-13)16-7-8-21-18(11-16)19(24)22-15-6-5-14(2)17(20)10-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,22,24)
InChIKeyMCSMJYFZKXQDEH-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218278
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109218222
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300
N-(4-bromo-2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218277
N-(3,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312663
N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109215433
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196527
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674
N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218225

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 109218235) is N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(N3CCCC(C)C3)ccn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is MCSMJYFZKXQDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-13-4-3-9-23(12-13)16-7-8-21-18(11-16)19(24)22-15-6-5-14(2)17(20)10-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109218235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).