N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

C20H25N3O — CID 46384738

IUPACN-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H25N3O/c1-3-16-6-4-5-15(2)19(16)22-20(24)17-9-13-23(14-10-17)18-7-11-21-12-8-18/h4-8,11-12,17H,3,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyRQTGVGFCDQYYOM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.81
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384738) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384738
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H25N3O/c1-3-16-6-4-5-15(2)19(16)22-20(24)17-9-13-23(14-10-17)18-7-11-21-12-8-18/h4-8,11-12,17H,3,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyRQTGVGFCDQYYOM-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384741
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
N-(2-ethyl-6-methylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006739
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45006997
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791078
4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149430
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
N-butan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384683

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384738) is N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is CCc1cccc(C)c1NC(=O)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is RQTGVGFCDQYYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-16-6-4-5-15(2)19(16)22-20(24)17-9-13-23(14-10-17)18-7-11-21-12-8-18/h4-8,11-12,17H,3,9-10,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).