N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide

C25H28N4O4 — CID 52906171

IUPACN-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide
SMILESCCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2C1
InChIInChI=1S/C25H28N4O4/c1-4-28-11-10-22-21(15-28)25(31)29(24(27-22)17-8-6-5-7-9-17)16-23(30)26-18-12-19(32-2)14-20(13-18)33-3/h5-9,12-14H,4,10-11,15-16H2,1-3H3,(H,26,30)
InChIKeyICCLFRNVJMHNCT-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.94
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide (PubChem CID 52906171) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide
PubChem CID52906171
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide
SMILESCCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2C1
InChIInChI=1S/C25H28N4O4/c1-4-28-11-10-22-21(15-28)25(31)29(24(27-22)17-8-6-5-7-9-17)16-23(30)26-18-12-19(32-2)14-20(13-18)33-3/h5-9,12-14H,4,10-11,15-16H2,1-3H3,(H,26,30)
InChIKeyICCLFRNVJMHNCT-UHFFFAOYSA-N
XLogP2.94
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide (CID 52906171) is N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide is CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2C1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is ICCLFRNVJMHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-4-28-11-10-22-21(15-28)25(31)29(24(27-22)17-8-6-5-7-9-17)16-23(30)26-18-12-19(32-2)14-20(13-18)33-3/h5-9,12-14H,4,10-11,15-16H2,1-3H3,(H,26,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 448.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(6-ethyl-4-oxo-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 52906171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).