4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide

C25H21ClN4O2 — CID 177047332

IUPAC4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide
SMILESCN1CC(Oc2cc(C(=O)Nc3ccc4cccnc4n3)ccc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H21ClN4O2/c1-30-14-20(15-30)32-22-13-18(6-10-21(22)16-4-8-19(26)9-5-16)25(31)29-23-11-7-17-3-2-12-27-24(17)28-23/h2-13,20H,14-15H2,1H3,(H,27,28,29,31)
InChIKeyKMISHUCJCBQVGB-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.90
Rot. Bonds5

About 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide

4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide (PubChem CID 177047332) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide
PubChem CID177047332
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC Name4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide
SMILESCN1CC(Oc2cc(C(=O)Nc3ccc4cccnc4n3)ccc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H21ClN4O2/c1-30-14-20(15-30)32-22-13-18(6-10-21(22)16-4-8-19(26)9-5-16)25(31)29-23-11-7-17-3-2-12-27-24(17)28-23/h2-13,20H,14-15H2,1H3,(H,27,28,29,31)
InChIKeyKMISHUCJCBQVGB-UHFFFAOYSA-N
XLogP4.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)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 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide?
The IUPAC name of 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide (CID 177047332) is 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide is CN1CC(Oc2cc(C(=O)Nc3ccc4cccnc4n3)ccc2-c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide?
The InChIKey is KMISHUCJCBQVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c1-30-14-20(15-30)32-22-13-18(6-10-21(22)16-4-8-19(26)9-5-16)25(31)29-23-11-7-17-3-2-12-27-24(17)28-23/h2-13,20H,14-15H2,1H3,(H,27,28,29,31).
What are the key properties of 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide?
4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide has a molecular weight of 444.92 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(1-methylazetidin-3-yl)oxy-N-(1,8-naphthyridin-2-yl)benzamide is sourced from PubChem (CID 177047332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).