N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide

C24H21N5O — CID 67466208

IUPACN-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
SMILESCNC(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C24H21N5O/c1-25-24(30)18-7-4-6-17(13-18)22-23(27-12-11-26-22)19-14-29(15-19)21-10-9-16-5-2-3-8-20(16)28-21/h2-13,19H,14-15H2,1H3,(H,25,30)
InChIKeyQJRPNOFJBOCSJG-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.66
Rot. Bonds4

About N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide

N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide (PubChem CID 67466208) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
PubChem CID67466208
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide
SMILESCNC(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C24H21N5O/c1-25-24(30)18-7-4-6-17(13-18)22-23(27-12-11-26-22)19-14-29(15-19)21-10-9-16-5-2-3-8-20(16)28-21/h2-13,19H,14-15H2,1H3,(H,25,30)
InChIKeyQJRPNOFJBOCSJG-UHFFFAOYSA-N
XLogP3.66
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-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 N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
The IUPAC name of N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide (CID 67466208) is N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide is CNC(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
The InChIKey is QJRPNOFJBOCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-25-24(30)18-7-4-6-17(13-18)22-23(27-12-11-26-22)19-14-29(15-19)21-10-9-16-5-2-3-8-20(16)28-21/h2-13,19H,14-15H2,1H3,(H,25,30).
What are the key properties of N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide?
N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide has a molecular weight of 395.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 67466208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).