3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide

C17H20F3N5O — CID 67314173

IUPAC3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(CC2CCCC2)n2cnc(C(F)(F)F)n2)nc1
InChIInChI=1S/C17H20F3N5O/c1-11-6-7-14(21-9-11)23-15(26)13(8-12-4-2-3-5-12)25-10-22-16(24-25)17(18,19)20/h6-7,9-10,12-13H,2-5,8H2,1H3,(H,21,23,26)
InChIKeyDMFBKNSQSWNCFV-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.76
Rot. Bonds5

About 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide

3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide (PubChem CID 67314173) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
PubChem CID67314173
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(CC2CCCC2)n2cnc(C(F)(F)F)n2)nc1
InChIInChI=1S/C17H20F3N5O/c1-11-6-7-14(21-9-11)23-15(26)13(8-12-4-2-3-5-12)25-10-22-16(24-25)17(18,19)20/h6-7,9-10,12-13H,2-5,8H2,1H3,(H,21,23,26)
InChIKeyDMFBKNSQSWNCFV-UHFFFAOYSA-N
XLogP3.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[[3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanoyl]amino]pyrazol-1-yl]acetic acid
CID 67313919
(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
CID 44628875
(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 46181747
(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[2-oxo-5-(trifluoromethyl)pyrazin-1-yl]propanamide
CID 46864692
(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 67312887
[1-[(2S)-3-cyclopentyl-1-[(5-methylpyrazin-2-yl)amino]-1-oxopropan-2-yl]-1,2,4-triazol-3-yl]methanesulfinate
CID 174624118
6-[[(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoyl]amino]-2-methylpyridine-3-carboxylic acid
CID 71080363
(2S)-3-cyclopentyl-N-[5-(hydroxymethyl)-2-pyridinyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
CID 44629218
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
CID 23394564
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 98385049
2-cyclohexylsulfanyl-N-(5-methyl-2-pyridinyl)propanamide
CID 23970461

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide (CID 67314173) is 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide is Cc1ccc(NC(=O)C(CC2CCCC2)n2cnc(C(F)(F)F)n2)nc1.
What is the InChIKey of 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
The InChIKey is DMFBKNSQSWNCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-11-6-7-14(21-9-11)23-15(26)13(8-12-4-2-3-5-12)25-10-22-16(24-25)17(18,19)20/h6-7,9-10,12-13H,2-5,8H2,1H3,(H,21,23,26).
What are the key properties of 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide?
3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide has a molecular weight of 367.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide is sourced from PubChem (CID 67314173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).