(3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate

C16H14N2O2 — CID 7573946

IUPAC(3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-10-4-6-13(7-5-10)16(19)20-15-14(9-17)11(2)8-12(3)18-15/h4-8H,1-3H3
InChIKeyUGGXGFIHVQNDAR-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.10
Rot. Bonds2

About (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate

(3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate (PubChem CID 7573946) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate.

Molecular Properties

Compound Name(3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate
PubChem CID7573946
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-10-4-6-13(7-5-10)16(19)20-15-14(9-17)11(2)8-12(3)18-15/h4-8H,1-3H3
InChIKeyUGGXGFIHVQNDAR-UHFFFAOYSA-N
XLogP3.10
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate 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

(3-cyano-4,6-dimethyl-2-pyridinyl) thiophene-2-carboxylate
CID 2726030
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672761
(4-cyano-2,6-dimethylphenyl) 4-methylbenzoate
CID 129452062
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
(3-cyano-4-methyl-6-thiophen-2-yl-2-pyridinyl) 4-chlorobenzoate
CID 138858207
(4-cyano-3-methylphenyl) 4-methylbenzoate
CID 145215466
(6-acetyl-2-cyano-3,4-dimethylphenyl) 4-methylbenzoate
CID 71484702
(6-benzoyloxy-3-cyano-2-pyridinyl) 4-methylbenzoate
CID 54430251
4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 63511383
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016460
methyl 5-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxymethyl]furan-2-carboxylate
CID 891684
2-[2-[4-[4-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]phenyl]phenyl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 3111095

Frequently Asked Questions

What is the IUPAC name of (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate?
The IUPAC name of (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate (CID 7573946) is (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate.
What is the SMILES notation for (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate?
The canonical SMILES for (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate is Cc1ccc(C(=O)Oc2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate?
The InChIKey is UGGXGFIHVQNDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-4-6-13(7-5-10)16(19)20-15-14(9-17)11(2)8-12(3)18-15/h4-8H,1-3H3.
What are the key properties of (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate?
(3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate has a molecular weight of 266.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-4,6-dimethyl-2-pyridinyl) 4-methylbenzoate is sourced from PubChem (CID 7573946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).