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

C18H14N6O2 — CID 20960079

IUPAC9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccnc4)nc32)cc1
InChIInChI=1S/C18H14N6O2/c1-10-4-6-12(7-5-10)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)11-3-2-8-20-9-11/h2-9H,1H3,(H2,19,25)(H,22,26)
InChIKeyKBSKPQGQTIWNTQ-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.58
Rot. Bonds3

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

9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide (PubChem CID 20960079) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
PubChem CID20960079
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccnc4)nc32)cc1
InChIInChI=1S/C18H14N6O2/c1-10-4-6-12(7-5-10)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)11-3-2-8-20-9-11/h2-9H,1H3,(H2,19,25)(H,22,26)
InChIKeyKBSKPQGQTIWNTQ-UHFFFAOYSA-N
XLogP1.58
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603381
9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
CID 7599621
2-(3,4-difluorophenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 16806755
2-methyl-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960121
2-[3-fluoro-5-(trifluoromethyl)phenyl]-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24821926
2-(4-chloro-2,6-difluorophenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24821786
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603281
2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 16825178
9-(4-chlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603329
2-(3-bromophenyl)-9-(3,4-dimethylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 16810154
2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603359

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
The IUPAC name of 9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide (CID 20960079) is 9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
The canonical SMILES for 9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide is Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccnc4)nc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
The InChIKey is KBSKPQGQTIWNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-10-4-6-12(7-5-10)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)11-3-2-8-20-9-11/h2-9H,1H3,(H2,19,25)(H,22,26).
What are the key properties of 9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 20960079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).