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

C22H30N4O3 — CID 59663251

IUPAC2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESCOCC(=O)N1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C22H30N4O3/c1-29-12-20(28)26-3-2-17-18(11-26)23-13-24-21(17)25-19(27)10-22-7-14-4-15(8-22)6-16(5-14)9-22/h13-16H,2-12H2,1H3,(H,23,24,25,27)
InChIKeyUTCODXCIXSXYAY-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.55
Rot. Bonds5

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

2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (PubChem CID 59663251) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
PubChem CID59663251
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESCOCC(=O)N1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C22H30N4O3/c1-29-12-20(28)26-3-2-17-18(11-26)23-13-24-21(17)25-19(27)10-22-7-14-4-15(8-22)6-16(5-14)9-22/h13-16H,2-12H2,1H3,(H,23,24,25,27)
InChIKeyUTCODXCIXSXYAY-UHFFFAOYSA-N
XLogP2.55
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-adamantyl)-N-[7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663531
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-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide
CID 59663267
2-(1-adamantyl)-N-[7-(2,4-dimethoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 69266816
2-(1-adamantyl)-N-[7-(3-hydroxypropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 11847700
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
N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide
CID 59663286
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
2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663566
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (CID 59663251) is 2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is COCC(=O)N1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The InChIKey is UTCODXCIXSXYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-29-12-20(28)26-3-2-17-18(11-26)23-13-24-21(17)25-19(27)10-22-7-14-4-15(8-22)6-16(5-14)9-22/h13-16H,2-12H2,1H3,(H,23,24,25,27).
What are the key properties of 2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[7-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 59663251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).