1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide

C16H13N7O2 — CID 7620011

IUPAC1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ncnc3nc[nH]c23)cc2cccnc21
InChIInChI=1S/C16H13N7O2/c1-2-23-14-9(4-3-5-17-14)6-10(16(23)25)15(24)22-13-11-12(19-7-18-11)20-8-21-13/h3-8H,2H2,1H3,(H2,18,19,20,21,22,24)
InChIKeyFQZCKQAJGJIQHX-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.34
Rot. Bonds3

About 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide

1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 7620011) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID7620011
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ncnc3nc[nH]c23)cc2cccnc21
InChIInChI=1S/C16H13N7O2/c1-2-23-14-9(4-3-5-17-14)6-10(16(23)25)15(24)22-13-11-12(19-7-18-11)20-8-21-13/h3-8H,2H2,1H3,(H2,18,19,20,21,22,24)
InChIKeyFQZCKQAJGJIQHX-UHFFFAOYSA-N
XLogP1.34
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide (CID 7620011) is 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide is CCn1c(=O)c(C(=O)Nc2ncnc3nc[nH]c23)cc2cccnc21.
What is the InChIKey of 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is FQZCKQAJGJIQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-2-23-14-9(4-3-5-17-14)6-10(16(23)25)15(24)22-13-11-12(19-7-18-11)20-8-21-13/h3-8H,2H2,1H3,(H2,18,19,20,21,22,24).
What are the key properties of 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide?
1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).