5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide

C16H19N3O2 — CID 154786549

IUPAC5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C#N)c(=O)[nH]c1C(=O)N(C1CCC1)C1CCC1
InChIInChI=1S/C16H19N3O2/c1-10-8-11(9-17)15(20)18-14(10)16(21)19(12-4-2-5-12)13-6-3-7-13/h8,12-13H,2-7H2,1H3,(H,18,20)
InChIKeyGKKMWCIFZSHYHZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.10
Rot. Bonds3

About 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide

5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 154786549) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID154786549
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C#N)c(=O)[nH]c1C(=O)N(C1CCC1)C1CCC1
InChIInChI=1S/C16H19N3O2/c1-10-8-11(9-17)15(20)18-14(10)16(21)19(12-4-2-5-12)13-6-3-7-13/h8,12-13H,2-7H2,1H3,(H,18,20)
InChIKeyGKKMWCIFZSHYHZ-UHFFFAOYSA-N
XLogP2.10
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-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 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 154786549) is 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(C#N)c(=O)[nH]c1C(=O)N(C1CCC1)C1CCC1.
What is the InChIKey of 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is GKKMWCIFZSHYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-11(9-17)15(20)18-14(10)16(21)19(12-4-2-5-12)13-6-3-7-13/h8,12-13H,2-7H2,1H3,(H,18,20).
What are the key properties of 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N,N-di(cyclobutyl)-3-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 154786549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).