2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide

C20H25N3O — CID 131894977

IUPAC2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2CN2CCCCC2)cc(C)n1
InChIInChI=1S/C20H25N3O/c1-15-12-18(13-16(2)21-15)20(24)22-19-9-5-4-8-17(19)14-23-10-6-3-7-11-23/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,22,24)
InChIKeyCKOHUSXWBHFJPF-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.94
Rot. Bonds4

About 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide

2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide (PubChem CID 131894977) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
PubChem CID131894977
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2CN2CCCCC2)cc(C)n1
InChIInChI=1S/C20H25N3O/c1-15-12-18(13-16(2)21-15)20(24)22-19-9-5-4-8-17(19)14-23-10-6-3-7-11-23/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,22,24)
InChIKeyCKOHUSXWBHFJPF-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131894722
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
1,4,6-trimethyl-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131943063
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-[2-(piperidin-1-ylmethyl)phenyl]urea
CID 72892403
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
N-[2-(azepan-1-ylmethyl)phenyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46968682
5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
CID 46968234
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676837
3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676963
4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide
CID 131912405
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide (CID 131894977) is 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2CN2CCCCC2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is CKOHUSXWBHFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-12-18(13-16(2)21-15)20(24)22-19-9-5-4-8-17(19)14-23-10-6-3-7-11-23/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,22,24).
What are the key properties of 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide?
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 131894977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).