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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).