3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide

C14H13F2N3O — CID 105385402

IUPAC3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)N(C)c2ccc(F)cc2)c1F
InChIInChI=1S/C14H13F2N3O/c1-17-13-12(16)11(7-8-18-13)14(20)19(2)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,17,18)
InChIKeyQMBPDEFCZRZQPV-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.68
Rot. Bonds3

About 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide

3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105385402) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
PubChem CID105385402
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)N(C)c2ccc(F)cc2)c1F
InChIInChI=1S/C14H13F2N3O/c1-17-13-12(16)11(7-8-18-13)14(20)19(2)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,17,18)
InChIKeyQMBPDEFCZRZQPV-UHFFFAOYSA-N
XLogP2.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide (CID 105385402) is 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)N(C)c2ccc(F)cc2)c1F.
What is the InChIKey of 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is QMBPDEFCZRZQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-17-13-12(16)11(7-8-18-13)14(20)19(2)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).