N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride

C24H22ClF5N4O2 — CID 126744496

About N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride

N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 126744496) has the molecular formula C24H22ClF5N4O2 and a molecular weight of 528.91 g/mol. Its IUPAC name is N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
• PubChem CID: 126744496
• Molecular Formula: C24H22ClF5N4O2
• Molecular Weight: 528.91 g/mol
• Exact Mass: 528.14
• IUPAC Name: N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
• SMILES: Cl.NC1CCCC(Oc2ccncc2NC(=O)c2ccc(C(F)(F)F)c(-c3c(F)cccc3F)n2)C1
• InChI: InChI=1S/C24H21F5N4O2.ClH/c25-16-5-2-6-17(26)21(16)22-15(24(27,28)29)7-8-18(32-22)23(34)33-19-12-31-10-9-20(19)35-14-4-1-3-13(30)11-14;/h2,5-10,12-14H,1,3-4,11,30H2,(H,33,34);1H
• InChIKey: UWPHMLBGZXRSJN-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.91
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?

The IUPAC name of N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride (CID 126744496) is N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride is Cl.NC1CCCC(Oc2ccncc2NC(=O)c2ccc(C(F)(F)F)c(-c3c(F)cccc3F)n2)C1.

What is the InChIKey of N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?

The InChIKey is UWPHMLBGZXRSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N4O2.ClH/c25-16-5-2-6-17(26)21(16)22-15(24(27,28)29)7-8-18(32-22)23(34)33-19-12-31-10-9-20(19)35-14-4-1-3-13(30)11-14;/h2,5-10,12-14H,1,3-4,11,30H2,(H,33,34);1H.

What are the key properties of N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?

N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 528.91 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126744496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).