N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide

C18H14N6O2 — CID 174765679

IUPACN-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide
SMILESO=CNc1nc(-c2cccnc2)nc2c1[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C18H14N6O2/c25-11-20-16-14-17(23-15(22-16)13-7-4-8-19-9-13)24(18(26)21-14)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,26)(H,20,22,23,25)
InChIKeyVHGIPYRWLIEXLX-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.80
Rot. Bonds5

About N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide

N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide (PubChem CID 174765679) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide.

Molecular Properties

Compound NameN-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide
PubChem CID174765679
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC NameN-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide
SMILESO=CNc1nc(-c2cccnc2)nc2c1[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C18H14N6O2/c25-11-20-16-14-17(23-15(22-16)13-7-4-8-19-9-13)24(18(26)21-14)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,26)(H,20,22,23,25)
InChIKeyVHGIPYRWLIEXLX-UHFFFAOYSA-N
XLogP1.80
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide 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

Emapunil
CID 6433109
Gsk-3494245
CID 126571915
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
Imidazopyridine 12c
CID 5329349
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
Imidazopyridine 18a
CID 5329351
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2c
CID 5329416
2,4-Disubstituted Pyrimidine 4b
CID 5329431
2,4-Disubstituted Pyrimidine 4c
CID 5329432
2,4-Disubstituted Pyrimidine 4f
CID 5329435

Frequently Asked Questions

What is the IUPAC name of N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide?
The IUPAC name of N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide (CID 174765679) is N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide.
What is the SMILES notation for N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide?
The canonical SMILES for N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide is O=CNc1nc(-c2cccnc2)nc2c1[nH]c(=O)n2Cc1ccccc1.
What is the InChIKey of N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide?
The InChIKey is VHGIPYRWLIEXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-11-20-16-14-17(23-15(22-16)13-7-4-8-19-9-13)24(18(26)21-14)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,26)(H,20,22,23,25).
What are the key properties of N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide?
N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide has a molecular weight of 346.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzyl-8-oxo-2-pyridin-3-yl-7H-purin-6-yl)formamide is sourced from PubChem (CID 174765679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).