5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C13H11F3N4O — CID 61358785

IUPAC5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)7-2-1-3-9(4-7)20-12-10(11(18)21)5-8(17)6-19-12/h1-6H,17H2,(H2,18,21)(H,19,20)
InChIKeyASHUEXFSEOLLBP-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.53
Rot. Bonds3

About 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 61358785) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID61358785
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)7-2-1-3-9(4-7)20-12-10(11(18)21)5-8(17)6-19-12/h1-6H,17H2,(H2,18,21)(H,19,20)
InChIKeyASHUEXFSEOLLBP-UHFFFAOYSA-N
XLogP2.53
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 114405030
2-(2-aminoethylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;dihydrochloride
CID 90664659
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 103467380
5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
CID 61359558
6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63515166
2-[(2-amino-3-methoxypropyl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 67002016

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 61358785) is 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is ASHUEXFSEOLLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)7-2-1-3-9(4-7)20-12-10(11(18)21)5-8(17)6-19-12/h1-6H,17H2,(H2,18,21)(H,19,20).
What are the key properties of 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 61358785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).