2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide

C22H24N4O — CID 142792332

IUPAC2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide
SMILESCc1ccc(C)c(C(NCc2ccncc2Cc2cccnc2)C(N)=O)c1
InChIInChI=1S/C22H24N4O/c1-15-5-6-16(2)20(10-15)21(22(23)27)26-14-18-7-9-25-13-19(18)11-17-4-3-8-24-12-17/h3-10,12-13,21,26H,11,14H2,1-2H3,(H2,23,27)
InChIKeyOBJSNNBVNHRXHT-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.00
Rot. Bonds7

About 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide

2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide (PubChem CID 142792332) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide
PubChem CID142792332
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide
SMILESCc1ccc(C)c(C(NCc2ccncc2Cc2cccnc2)C(N)=O)c1
InChIInChI=1S/C22H24N4O/c1-15-5-6-16(2)20(10-15)21(22(23)27)26-14-18-7-9-25-13-19(18)11-17-4-3-8-24-12-17/h3-10,12-13,21,26H,11,14H2,1-2H3,(H2,23,27)
InChIKeyOBJSNNBVNHRXHT-UHFFFAOYSA-N
XLogP3.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide 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 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide (CID 142792332) is 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide is Cc1ccc(C)c(C(NCc2ccncc2Cc2cccnc2)C(N)=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide?
The InChIKey is OBJSNNBVNHRXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-5-6-16(2)20(10-15)21(22(23)27)26-14-18-7-9-25-13-19(18)11-17-4-3-8-24-12-17/h3-10,12-13,21,26H,11,14H2,1-2H3,(H2,23,27).
What are the key properties of 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide?
2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-2-[[3-(pyridin-3-ylmethyl)-4-pyridinyl]methylamino]acetamide is sourced from PubChem (CID 142792332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).