1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C20H25N3O2 — CID 110862214

IUPAC1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-14-13-15(2)22(3)20(25)18(14)19(24)21-16-7-9-17(10-8-16)23-11-5-4-6-12-23/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,24)
InChIKeyOFRLWPLUHSDNCQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.24
Rot. Bonds3

About 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 110862214) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID110862214
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-14-13-15(2)22(3)20(25)18(14)19(24)21-16-7-9-17(10-8-16)23-11-5-4-6-12-23/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,24)
InChIKeyOFRLWPLUHSDNCQ-UHFFFAOYSA-N
XLogP3.24
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862650
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 110695203
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
N-(2,6-dimethylphenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110857573
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690
1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
CID 60527502
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169
1,4,6-trimethyl-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131943063
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
CID 110766236
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 110862214) is 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is OFRLWPLUHSDNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-13-15(2)22(3)20(25)18(14)19(24)21-16-7-9-17(10-8-16)23-11-5-4-6-12-23/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,24).
What are the key properties of 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-2-oxo-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 110862214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).