4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide

C23H21F3N8O2 — CID 75201785

IUPAC4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(C(F)(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32)
InChIKeyWIXZZUOTUAIJAZ-UHFFFAOYSA-N
MW498.47 g/mol
LogP4.15
Rot. Bonds7

About 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 75201785) has the molecular formula C23H21F3N8O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID75201785
Molecular FormulaC23H21F3N8O2
Molecular Weight498.47 g/mol
Exact Mass498.17
IUPAC Name4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(C(F)(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32)
InChIKeyWIXZZUOTUAIJAZ-UHFFFAOYSA-N
XLogP4.15
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 75201785) is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(C(F)(F)F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is WIXZZUOTUAIJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32).
What are the key properties of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 498.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 75201785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).