4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C13H9F4N3O — CID 62159635

IUPAC4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C13H9F4N3O/c14-10-2-1-8(6-9(10)13(15,16)17)20-12(21)11-5-7(18)3-4-19-11/h1-6H,(H2,18,19)(H,20,21)
InChIKeySOVXOLJQDNSLME-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.07
Rot. Bonds2

About 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 62159635) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID62159635
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C13H9F4N3O/c14-10-2-1-8(6-9(10)13(15,16)17)20-12(21)11-5-7(18)3-4-19-11/h1-6H,(H2,18,19)(H,20,21)
InChIKeySOVXOLJQDNSLME-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
4-amino-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 55041778
4-aminopyridine-2-carboxamide;4-[[2,5-difluoro-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide;2,5-difluoro-4-(trifluoromethyl)benzoyl chloride
CID 162220539
N-(4-acetamidophenyl)-4-aminopyridine-2-carboxamide
CID 95473649
N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 170148732
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 61228423
4-amino-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 62155055
N-(4-acetylphenyl)-4-aminopyridine-2-carboxamide
CID 82299178
4-amino-N-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 82820376

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 62159635) is 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Nc1ccnc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is SOVXOLJQDNSLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-10-2-1-8(6-9(10)13(15,16)17)20-12(21)11-5-7(18)3-4-19-11/h1-6H,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 299.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 62159635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).