5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide

C19H18F3N3O — CID 142751138

About 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide

5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 142751138) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 142751138
• Molecular Formula: C19H18F3N3O
• Molecular Weight: 361.37 g/mol
• Exact Mass: 361.14
• IUPAC Name: 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
• SMILES: NC(=O)c1cncc(-c2ccc([C@@]34C[C@@H]3CN(CC(F)(F)F)C4)cc2)c1
• InChI: InChI=1S/C19H18F3N3O/c20-19(21,22)11-25-9-16-6-18(16,10-25)15-3-1-12(2-4-15)13-5-14(17(23)26)8-24-7-13/h1-5,7-8,16H,6,9-11H2,(H2,23,26)/t16-,18+/m1/s1
• InChIKey: JQZFWPVULBDNJA-AEFFLSMTSA-N
• XLogP: 2.98
• TPSA: 59.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.37
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide (CID 142751138) is 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide is NC(=O)c1cncc(-c2ccc([C@@]34C[C@@H]3CN(CC(F)(F)F)C4)cc2)c1.

What is the InChIKey of 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is JQZFWPVULBDNJA-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H18F3N3O/c20-19(21,22)11-25-9-16-6-18(16,10-25)15-3-1-12(2-4-15)13-5-14(17(23)26)8-24-7-13/h1-5,7-8,16H,6,9-11H2,(H2,23,26)/t16-,18+/m1/s1.

What are the key properties of 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide?

5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 142751138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).