N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C9H12N2O2 — CID 103696311

IUPACN-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C9H12N2O2/c1-3-10-9(13)7-5-11-6(2)4-8(7)12/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyXYJRNVYLXLDCBR-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.43
Rot. Bonds2

About N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103696311) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103696311
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C9H12N2O2/c1-3-10-9(13)7-5-11-6(2)4-8(7)12/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyXYJRNVYLXLDCBR-UHFFFAOYSA-N
XLogP0.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103696311) is N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XYJRNVYLXLDCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-10-9(13)7-5-11-6(2)4-8(7)12/h4-5H,3H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103696311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).