N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide

C15H15F2N3O — CID 62615627

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N3O/c1-18-14-13(3-2-5-19-14)15(21)20-6-4-10-7-11(16)9-12(17)8-10/h2-3,5,7-9H,4,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyOHXHNFDVTSGBPI-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide

N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62615627) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
PubChem CID62615627
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2N3O/c1-18-14-13(3-2-5-19-14)15(21)20-6-4-10-7-11(16)9-12(17)8-10/h2-3,5,7-9H,4,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyOHXHNFDVTSGBPI-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
N-[2-(3-methoxyphenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 107856315
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
CID 60610166
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide (CID 62615627) is N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is OHXHNFDVTSGBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-18-14-13(3-2-5-19-14)15(21)20-6-4-10-7-11(16)9-12(17)8-10/h2-3,5,7-9H,4,6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide?
N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62615627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).