2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide

C24H21F3N6O2 — CID 175582948

About 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide

2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide (PubChem CID 175582948) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide
• PubChem CID: 175582948
• Molecular Formula: C24H21F3N6O2
• Molecular Weight: 482.47 g/mol
• Exact Mass: 482.17
• IUPAC Name: 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide
• SMILES: Cc1cnnn1-c1cccc(-n2c([C@H](C)c3cc(N)cc(C(F)(F)F)c3)c(C(N)=O)ccc2=O)c1
• InChI: InChI=1S/C24H21F3N6O2/c1-13-12-30-31-33(13)19-5-3-4-18(11-19)32-21(34)7-6-20(23(29)35)22(32)14(2)15-8-16(24(25,26)27)10-17(28)9-15/h3-12,14H,28H2,1-2H3,(H2,29,35)/t14-/m1/s1
• InChIKey: ZXCLGZNLZOBYNK-CQSZACIVSA-N
• XLogP: 3.58
• TPSA: 121.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.47
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide?

The IUPAC name of 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide (CID 175582948) is 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide?

The canonical SMILES for 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide is Cc1cnnn1-c1cccc(-n2c([C@H](C)c3cc(N)cc(C(F)(F)F)c3)c(C(N)=O)ccc2=O)c1.

What is the InChIKey of 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide?

The InChIKey is ZXCLGZNLZOBYNK-CQSZACIVSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-13-12-30-31-33(13)19-5-3-4-18(11-19)32-21(34)7-6-20(23(29)35)22(32)14(2)15-8-16(24(25,26)27)10-17(28)9-15/h3-12,14H,28H2,1-2H3,(H2,29,35)/t14-/m1/s1.

What are the key properties of 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide?

2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 175582948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).