N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide

C26H22ClN7O2 — CID 118970330

IUPACN-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide
SMILESC=C1N(Cc2ccccn2)C(=O)c2c(ncn2CC(=O)Nc2cccc(-c3ccc(Cl)cc3)n2)N1C
InChIInChI=1S/C26H22ClN7O2/c1-17-32(2)25-24(26(36)34(17)14-20-6-3-4-13-28-20)33(16-29-25)15-23(35)31-22-8-5-7-21(30-22)18-9-11-19(27)12-10-18/h3-13,16H,1,14-15H2,2H3,(H,30,31,35)
InChIKeyKTUASSLYRBKJJU-UHFFFAOYSA-N
MW499.96 g/mol
LogP4.20
Rot. Bonds6

About N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide

N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide (PubChem CID 118970330) has the molecular formula C26H22ClN7O2 and a molecular weight of 499.96 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide
PubChem CID118970330
Molecular FormulaC26H22ClN7O2
Molecular Weight499.96 g/mol
Exact Mass499.15
IUPAC NameN-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide
SMILESC=C1N(Cc2ccccn2)C(=O)c2c(ncn2CC(=O)Nc2cccc(-c3ccc(Cl)cc3)n2)N1C
InChIInChI=1S/C26H22ClN7O2/c1-17-32(2)25-24(26(36)34(17)14-20-6-3-4-13-28-20)33(16-29-25)15-23(35)31-22-8-5-7-21(30-22)18-9-11-19(27)12-10-18/h3-13,16H,1,14-15H2,2H3,(H,30,31,35)
InChIKeyKTUASSLYRBKJJU-UHFFFAOYSA-N
XLogP4.20
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.96
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]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 N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide (CID 118970330) is N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide is C=C1N(Cc2ccccn2)C(=O)c2c(ncn2CC(=O)Nc2cccc(-c3ccc(Cl)cc3)n2)N1C.
What is the InChIKey of N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide?
The InChIKey is KTUASSLYRBKJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN7O2/c1-17-32(2)25-24(26(36)34(17)14-20-6-3-4-13-28-20)33(16-29-25)15-23(35)31-22-8-5-7-21(30-22)18-9-11-19(27)12-10-18/h3-13,16H,1,14-15H2,2H3,(H,30,31,35).
What are the key properties of N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide?
N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide has a molecular weight of 499.96 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-2-pyridinyl]-2-[3-methyl-2-methylidene-6-oxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide is sourced from PubChem (CID 118970330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).