2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide

C22H24N4O3 — CID 155958981

IUPAC2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide
SMILESCC(NC(=O)C(C)N1CCc2c([nH]c(=O)[nH]c2=O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N4O3/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)23-20(27)14(2)26-10-9-18-19(12-26)24-22(29)25-21(18)28/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,23,27)(H2,24,25,28,29)
InChIKeyRPFSDZSUXHAAKU-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.84
Rot. Bonds4

About 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide

2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide (PubChem CID 155958981) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide
PubChem CID155958981
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide
SMILESCC(NC(=O)C(C)N1CCc2c([nH]c(=O)[nH]c2=O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N4O3/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)23-20(27)14(2)26-10-9-18-19(12-26)24-22(29)25-21(18)28/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,23,27)(H2,24,25,28,29)
InChIKeyRPFSDZSUXHAAKU-UHFFFAOYSA-N
XLogP1.84
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide?
The IUPAC name of 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide (CID 155958981) is 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide?
The canonical SMILES for 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide is CC(NC(=O)C(C)N1CCc2c([nH]c(=O)[nH]c2=O)C1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide?
The InChIKey is RPFSDZSUXHAAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)23-20(27)14(2)26-10-9-18-19(12-26)24-22(29)25-21(18)28/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,23,27)(H2,24,25,28,29).
What are the key properties of 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide?
2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide is sourced from PubChem (CID 155958981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).