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

C13H16F3N3O2 — CID 79875532

IUPAC2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NC1CCCCC1O
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)10-6-5-7(11(17)21)12(19-10)18-8-3-1-2-4-9(8)20/h5-6,8-9,20H,1-4H2,(H2,17,21)(H,18,19)
InChIKeyOPCVWCRMLKTSOZ-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.91
Rot. Bonds3

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

2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875532) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875532
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NC1CCCCC1O
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)10-6-5-7(11(17)21)12(19-10)18-8-3-1-2-4-9(8)20/h5-6,8-9,20H,1-4H2,(H2,17,21)(H,18,19)
InChIKeyOPCVWCRMLKTSOZ-UHFFFAOYSA-N
XLogP1.91
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875532) is 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1NC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OPCVWCRMLKTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)10-6-5-7(11(17)21)12(19-10)18-8-3-1-2-4-9(8)20/h5-6,8-9,20H,1-4H2,(H2,17,21)(H,18,19).
What are the key properties of 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).