1,5,6-trimethyl-2-oxopyridine-3-carbonitrile

C9H10N2O — CID 13433094

IUPAC1,5,6-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C#N)c(=O)n(C)c1C
InChIInChI=1S/C9H10N2O/c1-6-4-8(5-10)9(12)11(3)7(6)2/h4H,1-3H3
InChIKeyDDBCNRDQPFYGIP-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.87
Rot. Bonds

About 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile

1,5,6-trimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 13433094) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1,5,6-trimethyl-2-oxopyridine-3-carbonitrile
PubChem CID13433094
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1,5,6-trimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C#N)c(=O)n(C)c1C
InChIInChI=1S/C9H10N2O/c1-6-4-8(5-10)9(12)11(3)7(6)2/h4H,1-3H3
InChIKeyDDBCNRDQPFYGIP-UHFFFAOYSA-N
XLogP0.87
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-
CID 46479
1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504759
1-Allyl-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1485466
5-Acetyl-1-ethyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 1475376
4,6-Dimethyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 4380373
6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 12944925
1,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 24219840
(Z)-3-(3,5-dimethyl-2-oxo-1-pyridinyl)-2-methylprop-2-enenitrile
CID 155541424
1-(Cyanomethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 53243166
1,3,4,5,6-Pentamethyl-2(1H)-pyridinone
CID 586035
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 590532
1,6-Dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
CID 1471023

Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile (CID 13433094) is 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C#N)c(=O)n(C)c1C.
What is the InChIKey of 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is DDBCNRDQPFYGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-4-8(5-10)9(12)11(3)7(6)2/h4H,1-3H3.
What are the key properties of 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile?
1,5,6-trimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 13433094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).