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

C24H21F3N6O2 — CID 175582946

IUPAC2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCc1cnnn1-c1cccc(-n2c(C(C)c3cc(N)cc(C(F)(F)F)c3)c(C(N)=O)ccc2=O)c1
InChIInChI=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)
InChIKeyZXCLGZNLZOBYNK-UHFFFAOYSA-N
MW482.47 g/mol
LogP3.58
Rot. Bonds5

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

2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide (PubChem CID 175582946) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide
PubChem CID175582946
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCc1cnnn1-c1cccc(-n2c(C(C)c3cc(N)cc(C(F)(F)F)c3)c(C(N)=O)ccc2=O)c1
InChIInChI=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)
InChIKeyZXCLGZNLZOBYNK-UHFFFAOYSA-N
XLogP3.58
TPSA121.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide
CID 175582948
2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 175583269
4-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(1,2-oxazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 175583137
4-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[5-(3-methyltriazol-4-yl)-3-pyridinyl]-6-oxopyridazine-3-carboxamide
CID 175583098
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-5-cyano-6-oxo-1-phenylpyridazine-3-carboxamide
CID 175583019
5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
CID 134105821
methyl 2-[[3-(3-fluorophenyl)triazole-4-carbonyl]amino]-2-[3-(trifluoromethyl)phenyl]acetate
CID 154851641
5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 11689324
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
1-[3-[3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167254
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 175582890

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide (CID 175582946) is 2-[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-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide is Cc1cnnn1-c1cccc(-n2c(C(C)c3cc(N)cc(C(F)(F)F)c3)c(C(N)=O)ccc2=O)c1.
What is the InChIKey of 2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide?
The InChIKey is ZXCLGZNLZOBYNK-UHFFFAOYSA-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).
What are the key properties of 2-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide?
2-[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-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[3-(5-methyltriazol-1-yl)phenyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 175582946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).