5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide

C14H15F3N3OP — CID 176938948

IUPAC5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide
SMILESCc1ccc(NC2=C(C(N)=O)C(C(F)(F)P)=CNC2)c(F)c1
InChIInChI=1S/C14H15F3N3OP/c1-7-2-3-10(9(15)4-7)20-11-6-19-5-8(14(16,17)22)12(11)13(18)21/h2-5,19-20H,6,22H2,1H3,(H2,18,21)
InChIKeyRLUZKFXMQSBMKP-UHFFFAOYSA-N
MW329.26 g/mol
LogP2.24
Rot. Bonds4

About 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide

5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide (PubChem CID 176938948) has the molecular formula C14H15F3N3OP and a molecular weight of 329.26 g/mol. Its IUPAC name is 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide.

Molecular Properties

Compound Name5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide
PubChem CID176938948
Molecular FormulaC14H15F3N3OP
Molecular Weight329.26 g/mol
Exact Mass329.09
IUPAC Name5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide
SMILESCc1ccc(NC2=C(C(N)=O)C(C(F)(F)P)=CNC2)c(F)c1
InChIInChI=1S/C14H15F3N3OP/c1-7-2-3-10(9(15)4-7)20-11-6-19-5-8(14(16,17)22)12(11)13(18)21/h2-5,19-20H,6,22H2,1H3,(H2,18,21)
InChIKeyRLUZKFXMQSBMKP-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide;ethane
CID 176938915
ethane;3-(2-fluoro-4-methylanilino)-5-prop-1-ynyl-1,2-dihydropyridine-4-carboxamide
CID 176938954
cyclopropyl-[5-fluoro-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridin-4-yl]methanone
CID 176938892
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide
CID 176938951
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide
CID 114038112
1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
2-(2-fluoro-4-methylanilino)-2-methylpropanoic acid
CID 82236350

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide?
The IUPAC name of 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide (CID 176938948) is 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide.
What is the SMILES notation for 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide?
The canonical SMILES for 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide is Cc1ccc(NC2=C(C(N)=O)C(C(F)(F)P)=CNC2)c(F)c1.
What is the InChIKey of 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide?
The InChIKey is RLUZKFXMQSBMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N3OP/c1-7-2-3-10(9(15)4-7)20-11-6-19-5-8(14(16,17)22)12(11)13(18)21/h2-5,19-20H,6,22H2,1H3,(H2,18,21).
What are the key properties of 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide?
5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide has a molecular weight of 329.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro(phosphanyl)methyl]-3-(2-fluoro-4-methylanilino)-1,2-dihydropyridine-4-carboxamide is sourced from PubChem (CID 176938948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).