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

C18H14N6O3 — CID 7599621

IUPAC9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccnc4)nc32)c1
InChIInChI=1S/C18H14N6O3/c1-27-12-6-2-5-11(8-12)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)10-4-3-7-20-9-10/h2-9H,1H3,(H2,19,25)(H,22,26)
InChIKeyOTFYFHCEIKXSHH-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.28
Rot. Bonds4

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

9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide (PubChem CID 7599621) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
PubChem CID7599621
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccnc4)nc32)c1
InChIInChI=1S/C18H14N6O3/c1-27-12-6-2-5-11(8-12)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)10-4-3-7-20-9-10/h2-9H,1H3,(H2,19,25)(H,22,26)
InChIKeyOTFYFHCEIKXSHH-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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Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
The IUPAC name of 9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide (CID 7599621) is 9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
The canonical SMILES for 9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide is COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccnc4)nc32)c1.
What is the InChIKey of 9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
The InChIKey is OTFYFHCEIKXSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c1-27-12-6-2-5-11(8-12)24-17-14(22-18(24)26)13(15(19)25)21-16(23-17)10-4-3-7-20-9-10/h2-9H,1H3,(H2,19,25)(H,22,26).
What are the key properties of 9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide?
9-(3-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-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 7599621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).