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

C18H14N6O3 — CID 5310211

IUPAC9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccnc3)nc21
InChIInChI=1S/C18H14N6O3/c1-27-12-7-3-2-6-11(12)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)10-5-4-8-20-9-10/h2-9H,1H3,(H2,19,25)(H,22,26)
InChIKeyONWGGYYFEQJNEH-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.28
Rot. Bonds4

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

9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide (PubChem CID 5310211) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
PubChem CID5310211
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccnc3)nc21
InChIInChI=1S/C18H14N6O3/c1-27-12-7-3-2-6-11(12)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)10-5-4-8-20-9-10/h2-9H,1H3,(H2,19,25)(H,22,26)
InChIKeyONWGGYYFEQJNEH-UHFFFAOYSA-N
XLogP1.28
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N1-((4-methoxyphenyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine (1:1)
CID 162821
1-Methyl-5-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide
CID 54759168
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10550225
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
CID 10786203
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 11675867
2-[2-(2-methoxyanilino)pyrimidin-4-yl]-1'-prop-2-enoylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 166626802
1-Benzyl-3-[(4-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 11047906
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 1073190

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
The IUPAC name of 9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide (CID 5310211) is 9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide is COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccnc3)nc21.
What is the InChIKey of 9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
The InChIKey is ONWGGYYFEQJNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c1-27-12-7-3-2-6-11(12)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)10-5-4-8-20-9-10/h2-9H,1H3,(H2,19,25)(H,22,26).
What are the key properties of 9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 5310211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).