3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide

C23H27ClN6O2 — CID 18348932

IUPAC3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide
SMILESO=C(c1cc(Cl)cc(OCCNc2ccncc2)c1)N(CCn1cncn1)C1CCCC1
InChIInChI=1S/C23H27ClN6O2/c24-19-13-18(14-22(15-19)32-12-9-27-20-5-7-25-8-6-20)23(31)30(21-3-1-2-4-21)11-10-29-17-26-16-28-29/h5-8,13-17,21H,1-4,9-12H2,(H,25,27)
InChIKeySLHVYYMXGHNERT-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.90
Rot. Bonds10

About 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide

3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide (PubChem CID 18348932) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide
PubChem CID18348932
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC Name3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide
SMILESO=C(c1cc(Cl)cc(OCCNc2ccncc2)c1)N(CCn1cncn1)C1CCCC1
InChIInChI=1S/C23H27ClN6O2/c24-19-13-18(14-22(15-19)32-12-9-27-20-5-7-25-8-6-20)23(31)30(21-3-1-2-4-21)11-10-29-17-26-16-28-29/h5-8,13-17,21H,1-4,9-12H2,(H,25,27)
InChIKeySLHVYYMXGHNERT-UHFFFAOYSA-N
XLogP3.90
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide 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 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide (CID 18348932) is 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide is O=C(c1cc(Cl)cc(OCCNc2ccncc2)c1)N(CCn1cncn1)C1CCCC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide?
The InChIKey is SLHVYYMXGHNERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O2/c24-19-13-18(14-22(15-19)32-12-9-27-20-5-7-25-8-6-20)23(31)30(21-3-1-2-4-21)11-10-29-17-26-16-28-29/h5-8,13-17,21H,1-4,9-12H2,(H,25,27).
What are the key properties of 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide?
3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide has a molecular weight of 454.96 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]-N-[2-(1,2,4-triazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 18348932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).