1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide

C15H17N3O — CID 82419941

IUPAC1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cn(-c2cccc(C)c2C)c(C)cc1=O
InChIInChI=1S/C15H17N3O/c1-9-5-4-6-13(11(9)3)18-8-12(15(16)17)14(19)7-10(18)2/h4-8H,1-3H3,(H3,16,17)
InChIKeyJQYWFKCHNAVXAX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.05
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide

1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide (PubChem CID 82419941) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide
PubChem CID82419941
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cn(-c2cccc(C)c2C)c(C)cc1=O
InChIInChI=1S/C15H17N3O/c1-9-5-4-6-13(11(9)3)18-8-12(15(16)17)14(19)7-10(18)2/h4-8H,1-3H3,(H3,16,17)
InChIKeyJQYWFKCHNAVXAX-UHFFFAOYSA-N
XLogP2.05
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
(E)-3-[1-(2,3-dimethylphenyl)-6-methyl-4-oxo-3-pyridinyl]prop-2-enoic acid
CID 82419951
1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82419857
5-acetyl-1-(2,6-dimethylphenyl)-2-methylpyridin-4-one
CID 82420257
5-[(cyclopropylamino)methyl]-1-(2,3-dimethylphenyl)-2-methylpyridin-4-one
CID 82419934
1,2,5-trimethylpyrrole-3-carboximidamide
CID 82490393
2,6-dimethylbenzenecarboximidamide
CID 5047790
5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one
CID 82419586
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 1489807
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107110287
1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82420817

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide (CID 82419941) is 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide is [H]/N=C(\N)c1cn(-c2cccc(C)c2C)c(C)cc1=O.
What is the InChIKey of 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide?
The InChIKey is JQYWFKCHNAVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-5-4-6-13(11(9)3)18-8-12(15(16)17)14(19)7-10(18)2/h4-8H,1-3H3,(H3,16,17).
What are the key properties of 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide?
1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide is sourced from PubChem (CID 82419941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).