5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide

C20H31N3O3 — CID 45247281

IUPAC5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCCCC2C)c1=O
InChIInChI=1S/C20H31N3O3/c1-13(2)10-21-19(25)16-11-22(14(3)4)12-17(18(16)24)20(26)23-9-7-6-8-15(23)5/h11-15H,6-10H2,1-5H3,(H,21,25)
InChIKeyMWYPTUZVTZWLCL-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.83
Rot. Bonds5

About 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide

5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 45247281) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID45247281
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCCCC2C)c1=O
InChIInChI=1S/C20H31N3O3/c1-13(2)10-21-19(25)16-11-22(14(3)4)12-17(18(16)24)20(26)23-9-7-6-8-15(23)5/h11-15H,6-10H2,1-5H3,(H,21,25)
InChIKeyMWYPTUZVTZWLCL-UHFFFAOYSA-N
XLogP2.83
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 42325171
methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 25365815
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42169511
1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
CID 45240202
N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45195904
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
N-[2-(3-chlorophenyl)ethyl]-1-(2-methoxyethyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 26322764
2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 17276176
N-cyclooctyl-5-(2-methylpiperidine-1-carbonyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 45227332
N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42345402
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 45247281) is 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide is CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCCCC2C)c1=O.
What is the InChIKey of 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MWYPTUZVTZWLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-13(2)10-21-19(25)16-11-22(14(3)4)12-17(18(16)24)20(26)23-9-7-6-8-15(23)5/h11-15H,6-10H2,1-5H3,(H,21,25).
What are the key properties of 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 45247281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).