2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide

C18H20ClN3O — CID 87320848

IUPAC2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3CCCNC3)cc2)cc(Cl)n1
InChIInChI=1S/C18H20ClN3O/c1-12-9-15(10-17(19)21-12)18(23)22-16-6-4-13(5-7-16)14-3-2-8-20-11-14/h4-7,9-10,14,20H,2-3,8,11H2,1H3,(H,22,23)
InChIKeyIKAKBQLPSLKXAR-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.76
Rot. Bonds3

About 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide

2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide (PubChem CID 87320848) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
PubChem CID87320848
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3CCCNC3)cc2)cc(Cl)n1
InChIInChI=1S/C18H20ClN3O/c1-12-9-15(10-17(19)21-12)18(23)22-16-6-4-13(5-7-16)14-3-2-8-20-11-14/h4-7,9-10,14,20H,2-3,8,11H2,1H3,(H,22,23)
InChIKeyIKAKBQLPSLKXAR-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 67240535
3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 160533406
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
N-(4-methylphenyl)-4-piperidin-3-ylpyridine-2-carboxamide
CID 110257606
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 113378415
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
CID 67238951
3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide
CID 175718166

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide (CID 87320848) is 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C3CCCNC3)cc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide?
The InChIKey is IKAKBQLPSLKXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-12-9-15(10-17(19)21-12)18(23)22-16-6-4-13(5-7-16)14-3-2-8-20-11-14/h4-7,9-10,14,20H,2-3,8,11H2,1H3,(H,22,23).
What are the key properties of 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide?
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 87320848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).