2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide

C28H36N4O3 — CID 59663566

IUPAC2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(OCCO)cc1)C2
InChIInChI=1S/C28H36N4O3/c33-7-8-35-23-3-1-19(2-4-23)16-32-6-5-24-25(17-32)29-18-30-27(24)31-26(34)15-28-12-20-9-21(13-28)11-22(10-20)14-28/h1-4,18,20-22,33H,5-17H2,(H,29,30,31,34)
InChIKeyNPCZSHZHTXVYEQ-UHFFFAOYSA-N
MW476.62 g/mol
LogP3.95
Rot. Bonds8

About 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide

2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (PubChem CID 59663566) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
PubChem CID59663566
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(OCCO)cc1)C2
InChIInChI=1S/C28H36N4O3/c33-7-8-35-23-3-1-19(2-4-23)16-32-6-5-24-25(17-32)29-18-30-27(24)31-26(34)15-28-12-20-9-21(13-28)11-22(10-20)14-28/h1-4,18,20-22,33H,5-17H2,(H,29,30,31,34)
InChIKeyNPCZSHZHTXVYEQ-UHFFFAOYSA-N
XLogP3.95
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide 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-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (CID 59663566) is 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(OCCO)cc1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The InChIKey is NPCZSHZHTXVYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c33-7-8-35-23-3-1-19(2-4-23)16-32-6-5-24-25(17-32)29-18-30-27(24)31-26(34)15-28-12-20-9-21(13-28)11-22(10-20)14-28/h1-4,18,20-22,33H,5-17H2,(H,29,30,31,34).
What are the key properties of 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide has a molecular weight of 476.62 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 59663566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).