9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide

C17H10Cl2N6O2 — CID 7119031

IUPAC9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H10Cl2N6O2/c18-10-2-1-9(7-11(10)19)25-16-13(23-17(25)27)12(14(20)26)22-15(24-16)8-3-5-21-6-4-8/h1-7H,(H2,20,26)(H,23,27)
InChIKeyBQYANXYWVALLLD-UHFFFAOYSA-N
MW401.21 g/mol
LogP2.58
Rot. Bonds3

About 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide

9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide (PubChem CID 7119031) has the molecular formula C17H10Cl2N6O2 and a molecular weight of 401.21 g/mol. Its IUPAC name is 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide
PubChem CID7119031
Molecular FormulaC17H10Cl2N6O2
Molecular Weight401.21 g/mol
Exact Mass400.02
IUPAC Name9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H10Cl2N6O2/c18-10-2-1-9(7-11(10)19)25-16-13(23-17(25)27)12(14(20)26)22-15(24-16)8-3-5-21-6-4-8/h1-7H,(H2,20,26)(H,23,27)
InChIKeyBQYANXYWVALLLD-UHFFFAOYSA-N
XLogP2.58
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.21
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide 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 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide?
The IUPAC name of 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide (CID 7119031) is 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide?
The canonical SMILES for 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide is NC(=O)c1nc(-c2ccncc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide?
The InChIKey is BQYANXYWVALLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N6O2/c18-10-2-1-9(7-11(10)19)25-16-13(23-17(25)27)12(14(20)26)22-15(24-16)8-3-5-21-6-4-8/h1-7H,(H2,20,26)(H,23,27).
What are the key properties of 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide?
9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide has a molecular weight of 401.21 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dichlorophenyl)-8-oxo-2-pyridin-4-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 7119031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).