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

C28H34N4O4 — CID 69266816

IUPAC2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)c(OC)c1
InChIInChI=1S/C28H34N4O4/c1-35-20-3-4-22(24(10-20)36-2)27(34)32-6-5-21-23(15-32)29-16-30-26(21)31-25(33)14-28-11-17-7-18(12-28)9-19(8-17)13-28/h3-4,10,16-19H,5-9,11-15H2,1-2H3,(H,29,30,31,33)
InChIKeyVYVZKUZVZHQVQB-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.24
Rot. Bonds6

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

2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (PubChem CID 69266816) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
PubChem CID69266816
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)c(OC)c1
InChIInChI=1S/C28H34N4O4/c1-35-20-3-4-22(24(10-20)36-2)27(34)32-6-5-21-23(15-32)29-16-30-26(21)31-25(33)14-28-11-17-7-18(12-28)9-19(8-17)13-28/h3-4,10,16-19H,5-9,11-15H2,1-2H3,(H,29,30,31,33)
InChIKeyVYVZKUZVZHQVQB-UHFFFAOYSA-N
XLogP4.24
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-adamantyl)-N-[7-[2-(4-methoxyphenyl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663358
2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663251
2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663239
2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663619
2-(1-adamantyl)-N-[7-(2-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide;2-(1-adamantyl)-N-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 87785893
2-(1-adamantyl)-N-[7-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663433
4-[4-[[4-[[2-(1-adamantyl)acetyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-3-methoxyphenoxy]butanoic acid
CID 59663148
N-[7-[(2,5-dimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663342
2-(1-adamantyl)-N-[7-(3-hydroxypropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 11847700
1-[4-[[2-(1-adamantyl)-2-hydroxyethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 59160529
2-(1-adamantyl)-N-[7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 11847696
2-(1-adamantyl)-N-[7-[3-(trifluoromethoxy)phenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663595

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (CID 69266816) is 2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is COc1ccc(C(=O)N2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)c(OC)c1.
What is the InChIKey of 2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The InChIKey is VYVZKUZVZHQVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-35-20-3-4-22(24(10-20)36-2)27(34)32-6-5-21-23(15-32)29-16-30-26(21)31-25(33)14-28-11-17-7-18(12-28)9-19(8-17)13-28/h3-4,10,16-19H,5-9,11-15H2,1-2H3,(H,29,30,31,33).
What are the key properties of 2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide has a molecular weight of 490.60 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 69266816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).