4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide

C17H25N3O3 — CID 172671667

IUPAC4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NC1CCCNC1=O
InChIInChI=1S/C17H25N3O3/c1-11(2)6-9-20-10-7-12(3)14(17(20)23)16(22)19-13-5-4-8-18-15(13)21/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyFLZCRJAVSXEVHF-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.21
Rot. Bonds5

About 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide

4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 172671667) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
PubChem CID172671667
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NC1CCCNC1=O
InChIInChI=1S/C17H25N3O3/c1-11(2)6-9-20-10-7-12(3)14(17(20)23)16(22)19-13-5-4-8-18-15(13)21/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyFLZCRJAVSXEVHF-UHFFFAOYSA-N
XLogP1.21
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172664709
4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172655426
N-(2-hydroxy-6-methylphenyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172665336
2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331753
4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 172669432
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172664011
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
3-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-4-methyl-1-(3-methylbutyl)pyridin-2-one;hydrochloride
CID 172913281
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172660059
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172672641
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide
CID 4553699

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide (CID 172671667) is 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)NC1CCCNC1=O.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is FLZCRJAVSXEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)6-9-20-10-7-12(3)14(17(20)23)16(22)19-13-5-4-8-18-15(13)21/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide?
4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 172671667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).