N-butyl-1-methyl-2-oxopyridine-4-carboxamide

C11H16N2O2 — CID 35555679

IUPACN-butyl-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H16N2O2/c1-3-4-6-12-11(15)9-5-7-13(2)10(14)8-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyCCMZDHQCYCBXDK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.92
Rot. Bonds4

About N-butyl-1-methyl-2-oxopyridine-4-carboxamide

N-butyl-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 35555679) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-butyl-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID35555679
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-butyl-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H16N2O2/c1-3-4-6-12-11(15)9-5-7-13(2)10(14)8-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyCCMZDHQCYCBXDK-UHFFFAOYSA-N
XLogP0.92
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103719329
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646
1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 47182500
N-butyl-1-methylpyrrole-3-carboxamide
CID 110762618
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 111444713
N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709300
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
N-[2-(2,2-difluoroethoxy)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103082580
N-[2-(furan-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 113221314
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-butyl-1-methyl-2-oxopyridine-4-carboxamide (CID 35555679) is N-butyl-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-butyl-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-butyl-1-methyl-2-oxopyridine-4-carboxamide is CCCCNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-butyl-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is CCMZDHQCYCBXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-4-6-12-11(15)9-5-7-13(2)10(14)8-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of N-butyl-1-methyl-2-oxopyridine-4-carboxamide?
N-butyl-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 35555679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).