3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide

C22H23N5O — CID 113029571

IUPAC3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cn2)c1
InChIInChI=1S/C22H23N5O/c1-17-5-4-6-18(15-17)22(28)25-20-9-8-19(16-24-20)26-11-13-27(14-12-26)21-7-2-3-10-23-21/h2-10,15-16H,11-14H2,1H3,(H,24,25,28)
InChIKeyMNYPKIFEFGAVSI-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.36
Rot. Bonds4

About 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide

3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide (PubChem CID 113029571) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
PubChem CID113029571
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cn2)c1
InChIInChI=1S/C22H23N5O/c1-17-5-4-6-18(15-17)22(28)25-20-9-8-19(16-24-20)26-11-13-27(14-12-26)21-7-2-3-10-23-21/h2-10,15-16H,11-14H2,1H3,(H,24,25,28)
InChIKeyMNYPKIFEFGAVSI-UHFFFAOYSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029367
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea
CID 113029595
N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109194484
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624
2-(2-fluorophenyl)-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]acetamide
CID 113029590
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113026047
3-methyl-N-[2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]benzamide
CID 111220169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide (CID 113029571) is 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide is Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cn2)c1.
What is the InChIKey of 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide?
The InChIKey is MNYPKIFEFGAVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-17-5-4-6-18(15-17)22(28)25-20-9-8-19(16-24-20)26-11-13-27(14-12-26)21-7-2-3-10-23-21/h2-10,15-16H,11-14H2,1H3,(H,24,25,28).
What are the key properties of 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide?
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 113029571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).