2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide

C14H18F3N3O2 — CID 75509414

IUPAC2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide
SMILESCOc1ncc(NC2CCC(C(F)(F)F)CC2)cc1C(N)=O
InChIInChI=1S/C14H18F3N3O2/c1-22-13-11(12(18)21)6-10(7-19-13)20-9-4-2-8(3-5-9)14(15,16)17/h6-9,20H,2-5H2,1H3,(H2,18,21)
InChIKeyQMVHULNDWZFFKP-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.72
Rot. Bonds4

About 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide

2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 75509414) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide
PubChem CID75509414
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide
SMILESCOc1ncc(NC2CCC(C(F)(F)F)CC2)cc1C(N)=O
InChIInChI=1S/C14H18F3N3O2/c1-22-13-11(12(18)21)6-10(7-19-13)20-9-4-2-8(3-5-9)14(15,16)17/h6-9,20H,2-5H2,1H3,(H2,18,21)
InChIKeyQMVHULNDWZFFKP-UHFFFAOYSA-N
XLogP2.72
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide (CID 75509414) is 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide is COc1ncc(NC2CCC(C(F)(F)F)CC2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is QMVHULNDWZFFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-22-13-11(12(18)21)6-10(7-19-13)20-9-4-2-8(3-5-9)14(15,16)17/h6-9,20H,2-5H2,1H3,(H2,18,21).
What are the key properties of 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide?
2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[4-(trifluoromethyl)cyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 75509414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).