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

C18H17FN2O3 — CID 8784042

IUPAC(2-fluorophenyl)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)OCc1ccccc1F
InChIInChI=1S/C18H17FN2O3/c1-11-14(12(2)21-18(23)15(11)9-20)7-8-17(22)24-10-13-5-3-4-6-16(13)19/h3-6H,7-8,10H2,1-2H3,(H,21,23)
InChIKeyLACHLLJMWGSBHB-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.68
Rot. Bonds5

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

(2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate (PubChem CID 8784042) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
PubChem CID8784042
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(2-fluorophenyl)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)OCc1ccccc1F
InChIInChI=1S/C18H17FN2O3/c1-11-14(12(2)21-18(23)15(11)9-20)7-8-17(22)24-10-13-5-3-4-6-16(13)19/h3-6H,7-8,10H2,1-2H3,(H,21,23)
InChIKeyLACHLLJMWGSBHB-UHFFFAOYSA-N
XLogP2.68
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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
Methyl 5-cyano-4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-1,4-dihydropyridine-3-carboxylate
CID 11855028

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
The IUPAC name of (2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate (CID 8784042) is (2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
The canonical SMILES for (2-fluorophenyl)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)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
The InChIKey is LACHLLJMWGSBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-14(12(2)21-18(23)15(11)9-20)7-8-17(22)24-10-13-5-3-4-6-16(13)19/h3-6H,7-8,10H2,1-2H3,(H,21,23).
What are the key properties of (2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate?
(2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate has a molecular weight of 328.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate is sourced from PubChem (CID 8784042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).