5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide

C21H21F3N6O — CID 153410643

IUPAC5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)NC2(Nc3ccc(C(F)(F)F)nc3)CCCC2)c1
InChIInChI=1S/C21H21F3N6O/c1-14-4-6-17(30-26-10-11-27-30)16(12-14)19(31)29-20(8-2-3-9-20)28-15-5-7-18(25-13-15)21(22,23)24/h4-7,10-13,28H,2-3,8-9H2,1H3,(H,29,31)
InChIKeyNLPCYDFOCMPILQ-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.10
Rot. Bonds5

About 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide

5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide (PubChem CID 153410643) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide.

Molecular Properties

Compound Name5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide
PubChem CID153410643
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC Name5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)NC2(Nc3ccc(C(F)(F)F)nc3)CCCC2)c1
InChIInChI=1S/C21H21F3N6O/c1-14-4-6-17(30-26-10-11-27-30)16(12-14)19(31)29-20(8-2-3-9-20)28-15-5-7-18(25-13-15)21(22,23)24/h4-7,10-13,28H,2-3,8-9H2,1H3,(H,29,31)
InChIKeyNLPCYDFOCMPILQ-UHFFFAOYSA-N
XLogP4.10
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide?
The IUPAC name of 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide (CID 153410643) is 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide.
What is the SMILES notation for 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide?
The canonical SMILES for 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide is Cc1ccc(-n2nccn2)c(C(=O)NC2(Nc3ccc(C(F)(F)F)nc3)CCCC2)c1.
What is the InChIKey of 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide?
The InChIKey is NLPCYDFOCMPILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O/c1-14-4-6-17(30-26-10-11-27-30)16(12-14)19(31)29-20(8-2-3-9-20)28-15-5-7-18(25-13-15)21(22,23)24/h4-7,10-13,28H,2-3,8-9H2,1H3,(H,29,31).
What are the key properties of 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide?
5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide has a molecular weight of 430.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclopentyl]benzamide is sourced from PubChem (CID 153410643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).