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

C26H29ClN4O2 — CID 59663619

IUPAC2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C26H29ClN4O2/c27-20-3-1-2-19(9-20)25(33)31-5-4-21-22(14-31)28-15-29-24(21)30-23(32)13-26-10-16-6-17(11-26)8-18(7-16)12-26/h1-3,9,15-18H,4-8,10-14H2,(H,28,29,30,32)
InChIKeyIYNSCWRKOIEGGD-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.87
Rot. Bonds4

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

2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (PubChem CID 59663619) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
PubChem CID59663619
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C26H29ClN4O2/c27-20-3-1-2-19(9-20)25(33)31-5-4-21-22(14-31)28-15-29-24(21)30-23(32)13-26-10-16-6-17(11-26)8-18(7-16)12-26/h1-3,9,15-18H,4-8,10-14H2,(H,28,29,30,32)
InChIKeyIYNSCWRKOIEGGD-UHFFFAOYSA-N
XLogP4.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dichlorophenyl)methanone
CID 59160215
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-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-(2-methoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663251
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-[2-(4-methoxyphenyl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663358
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-hydroxypropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 11847700
2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663566

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (CID 59663619) is 2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1cccc(Cl)c1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The InChIKey is IYNSCWRKOIEGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c27-20-3-1-2-19(9-20)25(33)31-5-4-21-22(14-31)28-15-29-24(21)30-23(32)13-26-10-16-6-17(11-26)8-18(7-16)12-26/h1-3,9,15-18H,4-8,10-14H2,(H,28,29,30,32).
What are the key properties of 2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
2-(1-adamantyl)-N-[7-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide has a molecular weight of 465.00 g/mol, XLogP of 4.87, 4 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-(3-chlorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 59663619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).