6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide

C21H21F3N6O2 — CID 139504749

IUPAC6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc(-n2nccn2)c(C(=O)NC2CC(C)CC2Oc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C21H21F3N6O2/c1-12-9-15(17(10-12)32-18-6-4-14(11-25-18)21(22,23)24)29-20(31)19-16(5-3-13(2)28-19)30-26-7-8-27-30/h3-8,11-12,15,17H,9-10H2,1-2H3,(H,29,31)
InChIKeyNZLNKVFVCARWHD-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.36
Rot. Bonds5

About 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide

6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide (PubChem CID 139504749) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
PubChem CID139504749
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc(-n2nccn2)c(C(=O)NC2CC(C)CC2Oc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C21H21F3N6O2/c1-12-9-15(17(10-12)32-18-6-4-14(11-25-18)21(22,23)24)29-20(31)19-16(5-3-13(2)28-19)30-26-7-8-27-30/h3-8,11-12,15,17H,9-10H2,1-2H3,(H,29,31)
InChIKeyNZLNKVFVCARWHD-UHFFFAOYSA-N
XLogP3.36
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1R,3S,4S,6S)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939758
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 175952233
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 90404961
[(1S,6R)-3-(2-methylpropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118951682
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(4S)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 162542859
[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118940654
[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158182765
(4-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone);[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 161468481
[(1S,3S,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118939618
[5-fluoro-2-(triazol-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939701
[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90414265
[(2S,3R)-2-fluoro-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503540

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide (CID 139504749) is 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide is Cc1ccc(-n2nccn2)c(C(=O)NC2CC(C)CC2Oc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The InChIKey is NZLNKVFVCARWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-12-9-15(17(10-12)32-18-6-4-14(11-25-18)21(22,23)24)29-20(31)19-16(5-3-13(2)28-19)30-26-7-8-27-30/h3-8,11-12,15,17H,9-10H2,1-2H3,(H,29,31).
What are the key properties of 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 139504749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).