N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide

C26H24ClN5O2 — CID 146282320

IUPACN-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
SMILESCCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccccc4)C3)n2-c2ccccc2Cl)nc1
InChIInChI=1S/C26H24ClN5O2/c1-2-34-20-12-13-22(28-16-20)25-31-30-24(32(25)23-11-7-6-10-21(23)27)18-14-19(15-18)29-26(33)17-8-4-3-5-9-17/h3-13,16,18-19H,2,14-15H2,1H3,(H,29,33)
InChIKeyVJFWVLVFMXFORB-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.06
Rot. Bonds7

About N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide

N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide (PubChem CID 146282320) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
PubChem CID146282320
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC NameN-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
SMILESCCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccccc4)C3)n2-c2ccccc2Cl)nc1
InChIInChI=1S/C26H24ClN5O2/c1-2-34-20-12-13-22(28-16-20)25-31-30-24(32(25)23-11-7-6-10-21(23)27)18-14-19(15-18)29-26(33)17-8-4-3-5-9-17/h3-13,16,18-19H,2,14-15H2,1H3,(H,29,33)
InChIKeyVJFWVLVFMXFORB-UHFFFAOYSA-N
XLogP5.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]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 N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide?
The IUPAC name of N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide (CID 146282320) is N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide.
What is the SMILES notation for N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide?
The canonical SMILES for N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide is CCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccccc4)C3)n2-c2ccccc2Cl)nc1.
What is the InChIKey of N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide?
The InChIKey is VJFWVLVFMXFORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-2-34-20-12-13-22(28-16-20)25-31-30-24(32(25)23-11-7-6-10-21(23)27)18-14-19(15-18)29-26(33)17-8-4-3-5-9-17/h3-13,16,18-19H,2,14-15H2,1H3,(H,29,33).
What are the key properties of N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide?
N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide has a molecular weight of 473.96 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-chlorophenyl)-5-(5-ethoxy-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide is sourced from PubChem (CID 146282320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).