N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide

C27H34N4O — CID 59663281

About N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide

N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide (PubChem CID 59663281) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

• Compound Name: N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
• PubChem CID: 59663281
• Molecular Formula: C27H34N4O
• Molecular Weight: 430.60 g/mol
• Exact Mass: 430.27
• IUPAC Name: N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
• SMILES: Cc1ccc(CN2CCc3c(ncnc3NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1C
• InChI: InChI=1S/C27H34N4O/c1-17-3-4-19(7-18(17)2)14-31-6-5-23-24(15-31)28-16-29-25(23)30-26(32)27-11-20-8-21(12-27)10-22(9-20)13-27/h3-4,7,16,20-22H,5-6,8-15H2,1-2H3,(H,28,29,30,32)
• InChIKey: GGHJIKMAWKQQHS-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.60
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?

The IUPAC name of N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide (CID 59663281) is N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide.

What is the SMILES notation for N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?

The canonical SMILES for N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide is Cc1ccc(CN2CCc3c(ncnc3NC(=O)C34CC5CC(CC(C5)C3)C4)C2)cc1C.

What is the InChIKey of N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?

The InChIKey is GGHJIKMAWKQQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-17-3-4-19(7-18(17)2)14-31-6-5-23-24(15-31)28-16-29-25(23)30-26(32)27-11-20-8-21(12-27)10-22(9-20)13-27/h3-4,7,16,20-22H,5-6,8-15H2,1-2H3,(H,28,29,30,32).

What are the key properties of N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?

N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 59663281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).