4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide

C23H20N4O4 — CID 150470306

IUPAC4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cccnc32)cc1
InChIInChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)
InChIKeyHRQSKMQSNCMRDZ-UHFFFAOYSA-N
MW416.44 g/mol
LogP1.97
Rot. Bonds6

About 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide

4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 150470306) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID150470306
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cccnc32)cc1
InChIInChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28)
InChIKeyHRQSKMQSNCMRDZ-UHFFFAOYSA-N
XLogP1.97
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide (CID 150470306) is 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3cccnc32)cc1.
What is the InChIKey of 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is HRQSKMQSNCMRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c28-21(25-31)18-10-8-17(9-11-18)15-27-20-19(7-4-13-24-20)22(29)26(23(27)30)14-12-16-5-2-1-3-6-16/h1-11,13,31H,12,14-15H2,(H,25,28).
What are the key properties of 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide?
4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 416.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-dioxo-3-(2-phenylethyl)pyrido[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 150470306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).