1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C15H15N3O — CID 57315076

IUPAC1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1N
InChIInChI=1S/C15H15N3O/c1-9-4-5-12(7-14(9)17)18-11(3)6-10(2)13(8-16)15(18)19/h4-7H,17H2,1-3H3
InChIKeyCVHSOGUEQSOGMT-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.22
Rot. Bonds1

About 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 57315076) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID57315076
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1N
InChIInChI=1S/C15H15N3O/c1-9-4-5-12(7-14(9)17)18-11(3)6-10(2)13(8-16)15(18)19/h4-7H,17H2,1-3H3
InChIKeyCVHSOGUEQSOGMT-UHFFFAOYSA-N
XLogP2.22
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 57315076) is 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is CVHSOGUEQSOGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-4-5-12(7-14(9)17)18-11(3)6-10(2)13(8-16)15(18)19/h4-7H,17H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 57315076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).