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

C13H17F3N4O — CID 79875709

IUPAC2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NC1CCCCC1N
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)10-6-5-7(11(18)21)12(20-10)19-9-4-2-1-3-8(9)17/h5-6,8-9H,1-4,17H2,(H2,18,21)(H,19,20)
InChIKeyIVDHIYPMBQLFSB-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.88
Rot. Bonds3

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

2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875709) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875709
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NC1CCCCC1N
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)10-6-5-7(11(18)21)12(20-10)19-9-4-2-1-3-8(9)17/h5-6,8-9H,1-4,17H2,(H2,18,21)(H,19,20)
InChIKeyIVDHIYPMBQLFSB-UHFFFAOYSA-N
XLogP1.88
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875532
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868718
2-[(3-hydroxycyclobutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868949
2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 66611880
2-[(2-methylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877316
2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875671
2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
CID 102738838
2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868721
2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876891
2-[(2-methylcyclopropyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877582
2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide
CID 63252319
2-(2-bicyclo[2.2.1]heptanylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79874112

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875709) is 2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1NC1CCCCC1N.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IVDHIYPMBQLFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)10-6-5-7(11(18)21)12(20-10)19-9-4-2-1-3-8(9)17/h5-6,8-9H,1-4,17H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).