5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide

C13H11F3N4O — CID 114405030

IUPAC5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)7-2-1-3-8(6-7)19-12-9(17)4-5-10(20-12)11(18)21/h1-6H,17H2,(H2,18,21)(H,19,20)
InChIKeyVJGMTCUYZQDJLV-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.53
Rot. Bonds3

About 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide

5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 114405030) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID114405030
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)7-2-1-3-8(6-7)19-12-9(17)4-5-10(20-12)11(18)21/h1-6H,17H2,(H2,18,21)(H,19,20)
InChIKeyVJGMTCUYZQDJLV-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

6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
5-amino-6-(3-ethylanilino)pyridine-2-carboxamide
CID 114405232
5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 61358785
5-amino-6-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 114405028
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
CID 79823431
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 103467380

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 114405030) is 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide is NC(=O)c1ccc(N)c(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is VJGMTCUYZQDJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)7-2-1-3-8(6-7)19-12-9(17)4-5-10(20-12)11(18)21/h1-6H,17H2,(H2,18,21)(H,19,20).
What are the key properties of 5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide?
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-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-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 114405030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).