2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide

C15H16N6O3 — CID 718059

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)NCc2cccnc2)n(C)c1=O
InChIInChI=1S/C15H16N6O3/c1-19-13-12(14(23)20(2)15(19)24)21(9-18-13)8-11(22)17-7-10-4-3-5-16-6-10/h3-6,9H,7-8H2,1-2H3,(H,17,22)
InChIKeyWDQGLVMVCGPNJL-UHFFFAOYSA-N
MW328.33 g/mol
LogP-0.85
Rot. Bonds4

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 718059) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID718059
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)NCc2cccnc2)n(C)c1=O
InChIInChI=1S/C15H16N6O3/c1-19-13-12(14(23)20(2)15(19)24)21(9-18-13)8-11(22)17-7-10-4-3-5-16-6-10/h3-6,9H,7-8H2,1-2H3,(H,17,22)
InChIKeyWDQGLVMVCGPNJL-UHFFFAOYSA-N
XLogP-0.85
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 718059) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)NCc2cccnc2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WDQGLVMVCGPNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-19-13-12(14(23)20(2)15(19)24)21(9-18-13)8-11(22)17-7-10-4-3-5-16-6-10/h3-6,9H,7-8H2,1-2H3,(H,17,22).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 328.33 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 718059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).