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

C20H28N4O — CID 11847668

IUPAC2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide
SMILESCN1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C20H28N4O/c1-24-3-2-16-17(11-24)21-12-22-19(16)23-18(25)10-20-7-13-4-14(8-20)6-15(5-13)9-20/h12-15H,2-11H2,1H3,(H,21,22,23,25)
InChIKeyMYRHYSCGAYKFEP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.01
Rot. Bonds3

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

2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide (PubChem CID 11847668) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide
PubChem CID11847668
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide
SMILESCN1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C20H28N4O/c1-24-3-2-16-17(11-24)21-12-22-19(16)23-18(25)10-20-7-13-4-14(8-20)6-15(5-13)9-20/h12-15H,2-11H2,1H3,(H,21,22,23,25)
InChIKeyMYRHYSCGAYKFEP-UHFFFAOYSA-N
XLogP3.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-N-(7-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-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide (CID 11847668) is 2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide is CN1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide?
The InChIKey is MYRHYSCGAYKFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-24-3-2-16-17(11-24)21-12-22-19(16)23-18(25)10-20-7-13-4-14(8-20)6-15(5-13)9-20/h12-15H,2-11H2,1H3,(H,21,22,23,25).
What are the key properties of 2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide?
2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 11847668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).