2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide

C16H14N4O3 — CID 6623131

IUPAC2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2cccnc21
InChIInChI=1S/C16H14N4O3/c17-13(21)10-19-14-12(7-4-8-18-14)15(22)20(16(19)23)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,17,21)
InChIKeyVYISUYKAWWKGRW-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.09
Rot. Bonds4

About 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide

2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide (PubChem CID 6623131) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide
PubChem CID6623131
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2cccnc21
InChIInChI=1S/C16H14N4O3/c17-13(21)10-19-14-12(7-4-8-18-14)15(22)20(16(19)23)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,17,21)
InChIKeyVYISUYKAWWKGRW-UHFFFAOYSA-N
XLogP0.09
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide (CID 6623131) is 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide is NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2cccnc21.
What is the InChIKey of 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide?
The InChIKey is VYISUYKAWWKGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c17-13(21)10-19-14-12(7-4-8-18-14)15(22)20(16(19)23)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,17,21).
What are the key properties of 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide?
2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide has a molecular weight of 310.31 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 6623131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).