N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide

C13H11F2N3O — CID 55138096

IUPACN-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2N3O/c1-16-12-9(3-2-6-17-12)13(19)18-8-4-5-10(14)11(15)7-8/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyILKSDLGCWQUKQS-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.65
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide

N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 55138096) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID55138096
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2N3O/c1-16-12-9(3-2-6-17-12)13(19)18-8-4-5-10(14)11(15)7-8/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyILKSDLGCWQUKQS-UHFFFAOYSA-N
XLogP2.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
N-(3,4-dimethylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173357
[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite
CID 142179435
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
N-(3,4-difluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068229
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
2-(methylamino)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62913801
N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 95728105
N-(3,4-difluorophenyl)-8-hydroxyquinoline-7-carboxamide;hydrochloride
CID 18372701

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide (CID 55138096) is N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is ILKSDLGCWQUKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-16-12-9(3-2-6-17-12)13(19)18-8-4-5-10(14)11(15)7-8/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide?
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55138096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).