2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide

C15H12F5N3O — CID 166321511

IUPAC2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)F)ccn1
InChIInChI=1S/C15H12F5N3O/c16-13(17)12(9-3-1-2-4-10(9)15(18,19)20)23-14(24)8-5-6-22-11(21)7-8/h1-7,12-13H,(H2,21,22)(H,23,24)/t12-/m1/s1
InChIKeyLBYDGFZBFBVCNW-GFCCVEGCSA-N
MW345.27 g/mol
LogP3.42
Rot. Bonds4

About 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide

2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide (PubChem CID 166321511) has the molecular formula C15H12F5N3O and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
PubChem CID166321511
Molecular FormulaC15H12F5N3O
Molecular Weight345.27 g/mol
Exact Mass345.09
IUPAC Name2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)F)ccn1
InChIInChI=1S/C15H12F5N3O/c16-13(17)12(9-3-1-2-4-10(9)15(18,19)20)23-14(24)8-5-6-22-11(21)7-8/h1-7,12-13H,(H2,21,22)(H,23,24)/t12-/m1/s1
InChIKeyLBYDGFZBFBVCNW-GFCCVEGCSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide (CID 166321511) is 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide is Nc1cc(C(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)F)ccn1.
What is the InChIKey of 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide?
The InChIKey is LBYDGFZBFBVCNW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H12F5N3O/c16-13(17)12(9-3-1-2-4-10(9)15(18,19)20)23-14(24)8-5-6-22-11(21)7-8/h1-7,12-13H,(H2,21,22)(H,23,24)/t12-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide?
2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide has a molecular weight of 345.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 166321511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).