N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide

C11H16N2O2 — CID 110855738

IUPACN-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C11H16N2O2/c1-3-4-7-13(2)11(15)10-8-9(14)5-6-12-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyYIJNOWWNMKQRRA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.25
Rot. Bonds4

About N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide

N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 110855738) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide
PubChem CID110855738
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C11H16N2O2/c1-3-4-7-13(2)11(15)10-8-9(14)5-6-12-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyYIJNOWWNMKQRRA-UHFFFAOYSA-N
XLogP1.25
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414823
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743
N-butyl-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 52561835
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
N-butyl-5-chloro-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 47293478
4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 63693899
N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 32906535
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
3-[butyl(methyl)carbamoyl]-5-methylbenzoic acid
CID 68655036

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide (CID 110855738) is N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(=O)cc[nH]1.
What is the InChIKey of N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is YIJNOWWNMKQRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-4-7-13(2)11(15)10-8-9(14)5-6-12-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide?
N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 110855738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).