6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

C32H33F3N6O2 — CID 166557419

About 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 166557419) has the molecular formula C32H33F3N6O2 and a molecular weight of 590.65 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
• PubChem CID: 166557419
• Molecular Formula: C32H33F3N6O2
• Molecular Weight: 590.65 g/mol
• Exact Mass: 590.26
• IUPAC Name: 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
• SMILES: C[C@H]1CCCN(Cc2cc(NC(=O)c3cc(-c4ccccc4-c4nncn4C)cc(C4CC4)n3)c(O)c(C(F)(F)F)c2)C1
• InChI: InChI=1S/C32H33F3N6O2/c1-19-6-5-11-41(16-19)17-20-12-25(32(33,34)35)29(42)27(13-20)38-31(43)28-15-22(14-26(37-28)21-9-10-21)23-7-3-4-8-24(23)30-39-36-18-40(30)2/h3-4,7-8,12-15,18-19,21,42H,5-6,9-11,16-17H2,1-2H3,(H,38,43)/t19-/m0/s1
• InChIKey: SCHAJWIKBVNXIQ-IBGZPJMESA-N
• XLogP: 6.63
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.65
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 166557419) is 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is C[C@H]1CCCN(Cc2cc(NC(=O)c3cc(-c4ccccc4-c4nncn4C)cc(C4CC4)n3)c(O)c(C(F)(F)F)c2)C1.

What is the InChIKey of 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?

The InChIKey is SCHAJWIKBVNXIQ-IBGZPJMESA-N. The full InChI is InChI=1S/C32H33F3N6O2/c1-19-6-5-11-41(16-19)17-20-12-25(32(33,34)35)29(42)27(13-20)38-31(43)28-15-22(14-26(37-28)21-9-10-21)23-7-3-4-8-24(23)30-39-36-18-40(30)2/h3-4,7-8,12-15,18-19,21,42H,5-6,9-11,16-17H2,1-2H3,(H,38,43)/t19-/m0/s1.

What are the key properties of 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?

6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 590.65 g/mol, XLogP of 6.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[2-hydroxy-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166557419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).