3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide

C9H14N2O2 — CID 69260802

IUPAC3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCC1=C(C)C(C)CN(C(N)=O)C1=O
InChIInChI=1S/C9H14N2O2/c1-5-4-11(9(10)13)8(12)7(3)6(5)2/h5H,4H2,1-3H3,(H2,10,13)
InChIKeyNTFSYAWLERBJBO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.88
Rot. Bonds

About 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide

3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide (PubChem CID 69260802) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound Name3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide
PubChem CID69260802
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCC1=C(C)C(C)CN(C(N)=O)C1=O
InChIInChI=1S/C9H14N2O2/c1-5-4-11(9(10)13)8(12)7(3)6(5)2/h5H,4H2,1-3H3,(H2,10,13)
InChIKeyNTFSYAWLERBJBO-UHFFFAOYSA-N
XLogP0.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide (CID 69260802) is 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide is CC1=C(C)C(C)CN(C(N)=O)C1=O.
What is the InChIKey of 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide?
The InChIKey is NTFSYAWLERBJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-4-11(9(10)13)8(12)7(3)6(5)2/h5H,4H2,1-3H3,(H2,10,13).
What are the key properties of 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide?
3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 69260802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).