N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide

C27H36N4O2 — CID 71127571

IUPACN-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide
SMILESCC12C=C3CC(C1)CC(CC(=O)Nc1ncnc4c1CCN(C(=O)C1CCCCC1)C4)(C3)C2
InChIInChI=1S/C27H36N4O2/c1-26-10-18-9-19(11-26)13-27(12-18,16-26)14-23(32)30-24-21-7-8-31(15-22(21)28-17-29-24)25(33)20-5-3-2-4-6-20/h10,17,19-20H,2-9,11-16H2,1H3,(H,28,29,30,32)
InChIKeyYLOQIWYPIQRATH-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.80
Rot. Bonds4

About N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide

N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide (PubChem CID 71127571) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide.

Molecular Properties

Compound NameN-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide
PubChem CID71127571
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide
SMILESCC12C=C3CC(C1)CC(CC(=O)Nc1ncnc4c1CCN(C(=O)C1CCCCC1)C4)(C3)C2
InChIInChI=1S/C27H36N4O2/c1-26-10-18-9-19(11-26)13-27(12-18,16-26)14-23(32)30-24-21-7-8-31(15-22(21)28-17-29-24)25(33)20-5-3-2-4-6-20/h10,17,19-20H,2-9,11-16H2,1H3,(H,28,29,30,32)
InChIKeyYLOQIWYPIQRATH-UHFFFAOYSA-N
XLogP4.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)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 N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide?
The IUPAC name of N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide (CID 71127571) is N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide.
What is the SMILES notation for N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide?
The canonical SMILES for N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide is CC12C=C3CC(C1)CC(CC(=O)Nc1ncnc4c1CCN(C(=O)C1CCCCC1)C4)(C3)C2.
What is the InChIKey of N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide?
The InChIKey is YLOQIWYPIQRATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-26-10-18-9-19(11-26)13-27(12-18,16-26)14-23(32)30-24-21-7-8-31(15-22(21)28-17-29-24)25(33)20-5-3-2-4-6-20/h10,17,19-20H,2-9,11-16H2,1H3,(H,28,29,30,32).
What are the key properties of N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide?
N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide has a molecular weight of 448.61 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(5-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide is sourced from PubChem (CID 71127571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).