5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide

C14H13FN2O2 — CID 175771037

IUPAC5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1c(C(N)=O)c(=O)c(-c2ccc(F)cc2)cn1C
InChIInChI=1S/C14H13FN2O2/c1-8-12(14(16)19)13(18)11(7-17(8)2)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H2,16,19)
InChIKeyDOKABEFYYACBJF-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.60
Rot. Bonds2

About 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide

5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 175771037) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID175771037
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1c(C(N)=O)c(=O)c(-c2ccc(F)cc2)cn1C
InChIInChI=1S/C14H13FN2O2/c1-8-12(14(16)19)13(18)11(7-17(8)2)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H2,16,19)
InChIKeyDOKABEFYYACBJF-UHFFFAOYSA-N
XLogP1.60
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide (CID 175771037) is 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide is Cc1c(C(N)=O)c(=O)c(-c2ccc(F)cc2)cn1C.
What is the InChIKey of 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is DOKABEFYYACBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-12(14(16)19)13(18)11(7-17(8)2)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H2,16,19).
What are the key properties of 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide?
5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 175771037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).