(2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate

C18H16F2N2O3 — CID 9380241

IUPAC(2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(F)c1F
InChIInChI=1S/C18H16F2N2O3/c1-10-13(11(2)22-18(24)14(10)8-21)6-7-16(23)25-9-12-4-3-5-15(19)17(12)20/h3-5H,6-7,9H2,1-2H3,(H,22,24)
InChIKeyMDBWPOCARLAKEH-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.82
Rot. Bonds5

About (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate

(2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate (PubChem CID 9380241) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
PubChem CID9380241
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name(2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(F)c1F
InChIInChI=1S/C18H16F2N2O3/c1-10-13(11(2)22-18(24)14(10)8-21)6-7-16(23)25-9-12-4-3-5-15(19)17(12)20/h3-5H,6-7,9H2,1-2H3,(H,22,24)
InChIKeyMDBWPOCARLAKEH-UHFFFAOYSA-N
XLogP2.82
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate 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

ethyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 127048145
ethyl 5-cyano-4-(4-cyanophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 127048146
1,6-Dihydropyridine-3-carboxylic acid, 5-cyano-2-ethyl-6-oxo-4-phenyl-, methyl ester
CID 624596
Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 9993158
Ethyl 5-cyano-2-methyl-6-oxo-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 12733237
ethyl 5-cyano-4-(4-fluorophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 127048147
(4-cyanophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 4851565
dimethyl 5-cyano-3-(4-fluorophenyl)-6-oxo-1H-pyridine-2,4-dicarboxylate
CID 341343
5-ethyl-3-[(2-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493538
5-ethyl-3-[(3-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493539
5-ethyl-3-[(4-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493540
[4-(trifluoromethyl)phenyl]methyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 13537709

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
The IUPAC name of (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate (CID 9380241) is (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate.
What is the SMILES notation for (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
The canonical SMILES for (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
The InChIKey is MDBWPOCARLAKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-10-13(11(2)22-18(24)14(10)8-21)6-7-16(23)25-9-12-4-3-5-15(19)17(12)20/h3-5H,6-7,9H2,1-2H3,(H,22,24).
What are the key properties of (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
(2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate has a molecular weight of 346.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate is sourced from PubChem (CID 9380241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).