2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide

C14H10F5N3O3S — CID 140591690

IUPAC2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N(Cc1ccc(F)c(F)c1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H10F5N3O3S/c15-10-4-3-8(6-11(10)16)7-22(26(24,25)14(17,18)19)13-9(12(20)23)2-1-5-21-13/h1-6H,7H2,(H2,20,23)
InChIKeyMEVCRSOCIOOCLU-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.31
Rot. Bonds5

About 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide

2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide (PubChem CID 140591690) has the molecular formula C14H10F5N3O3S and a molecular weight of 395.31 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide
PubChem CID140591690
Molecular FormulaC14H10F5N3O3S
Molecular Weight395.31 g/mol
Exact Mass395.04
IUPAC Name2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N(Cc1ccc(F)c(F)c1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H10F5N3O3S/c15-10-4-3-8(6-11(10)16)7-22(26(24,25)14(17,18)19)13-9(12(20)23)2-1-5-21-13/h1-6H,7H2,(H2,20,23)
InChIKeyMEVCRSOCIOOCLU-UHFFFAOYSA-N
XLogP2.31
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(2,6-difluorophenyl)cyclopropyl]amino]-5-fluoro-N-hydroxypyridine-3-carboxamide
CID 156213868
6-(Benzylamino)pyridine-3-carboxamide
CID 3031427
2-(4-phenylbutyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899247
2-Phenyl-1,8-naphthyridin-4-ol
CID 377427
2-(3-fluorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one
CID 385186
2-Propylamino-nicotinamide
CID 651580
3-fluoro-N-(5-iodopyridin-2-yl)benzamide
CID 2995016
2-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethyl)phenyl)nicotinamide
CID 20773396
2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 136127010
3-Fluoro-N-(pyridin-2-YL)benzamide
CID 823591
3-fluoro-N-(5-methylpyridin-2-yl)benzamide
CID 3011455
5-fluoro-N-hydroxy-6-[[(1S)-1-phenylpropyl]amino]pyridine-3-carboxamide
CID 156213618

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide (CID 140591690) is 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide is NC(=O)c1cccnc1N(Cc1ccc(F)c(F)c1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide?
The InChIKey is MEVCRSOCIOOCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N3O3S/c15-10-4-3-8(6-11(10)16)7-22(26(24,25)14(17,18)19)13-9(12(20)23)2-1-5-21-13/h1-6H,7H2,(H2,20,23).
What are the key properties of 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide?
2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide has a molecular weight of 395.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl-(trifluoromethylsulfonyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 140591690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).