2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide

C19H17N5O3 — CID 1073676

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2cccc3ccccc23)n(C)c1=O
InChIInChI=1S/C19H17N5O3/c1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyONONSKTWUDUOGR-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.23
Rot. Bonds3

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide (PubChem CID 1073676) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide
PubChem CID1073676
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2cccc3ccccc23)n(C)c1=O
InChIInChI=1S/C19H17N5O3/c1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyONONSKTWUDUOGR-UHFFFAOYSA-N
XLogP1.23
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide (CID 1073676) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc3ccccc23)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide?
The InChIKey is ONONSKTWUDUOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,21,25).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide has a molecular weight of 363.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1073676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).