2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

C18H15F3N6O2 — CID 153384515

IUPAC2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C18H15F3N6O2/c1-29-16-11(4-3-9-22-16)15(28)25-13-6-2-5-12(24-13)14-26-23-10-27(14)17(7-8-17)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H,24,25,28)
InChIKeyGXFZHFHKEAFZFQ-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.05
Rot. Bonds5

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

2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 153384515) has the molecular formula C18H15F3N6O2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID153384515
Molecular FormulaC18H15F3N6O2
Molecular Weight404.35 g/mol
Exact Mass404.12
IUPAC Name2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C18H15F3N6O2/c1-29-16-11(4-3-9-22-16)15(28)25-13-6-2-5-12(24-13)14-26-23-10-27(14)17(7-8-17)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H,24,25,28)
InChIKeyGXFZHFHKEAFZFQ-UHFFFAOYSA-N
XLogP3.05
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]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 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 153384515) is 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GXFZHFHKEAFZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2/c1-29-16-11(4-3-9-22-16)15(28)25-13-6-2-5-12(24-13)14-26-23-10-27(14)17(7-8-17)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H,24,25,28).
What are the key properties of 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 404.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 153384515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).