2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide

C15H13N5O3 — CID 16951992

IUPAC2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21
InChIInChI=1S/C15H13N5O3/c16-12(21)9-19-11-2-1-5-18-13(11)14(22)20(15(19)23)8-10-3-6-17-7-4-10/h1-7H,8-9H2,(H2,16,21)
InChIKeyGEHBZPZQRFUIFX-UHFFFAOYSA-N
MW311.30 g/mol
LogP-0.51
Rot. Bonds4

About 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide

2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 16951992) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID16951992
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21
InChIInChI=1S/C15H13N5O3/c16-12(21)9-19-11-2-1-5-18-13(11)14(22)20(15(19)23)8-10-3-6-17-7-4-10/h1-7H,8-9H2,(H2,16,21)
InChIKeyGEHBZPZQRFUIFX-UHFFFAOYSA-N
XLogP-0.51
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide (CID 16951992) is 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide is NC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21.
What is the InChIKey of 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is GEHBZPZQRFUIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c16-12(21)9-19-11-2-1-5-18-13(11)14(22)20(15(19)23)8-10-3-6-17-7-4-10/h1-7H,8-9H2,(H2,16,21).
What are the key properties of 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 311.30 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 16951992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).