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

C26H28F2N4O2 — CID 59663239

IUPAC2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C26H28F2N4O2/c27-20-2-1-18(8-21(20)28)25(34)32-4-3-19-22(13-32)29-14-30-24(19)31-23(33)12-26-9-15-5-16(10-26)7-17(6-15)11-26/h1-2,8,14-17H,3-7,9-13H2,(H,29,30,31,33)
InChIKeyQPMOENTWPKFLOO-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.50
Rot. Bonds4

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

2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (PubChem CID 59663239) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
PubChem CID59663239
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C26H28F2N4O2/c27-20-2-1-18(8-21(20)28)25(34)32-4-3-19-22(13-32)29-14-30-24(19)31-23(33)12-26-9-15-5-16(10-26)7-17(6-15)11-26/h1-2,8,14-17H,3-7,9-13H2,(H,29,30,31,33)
InChIKeyQPMOENTWPKFLOO-UHFFFAOYSA-N
XLogP4.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,4-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-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663531
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-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-(4-methoxyphenyl)acetyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663358
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-(2-phenylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 11847696
[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-chloro-5-fluorophenyl)methanone
CID 59160184
[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 59160100

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (CID 59663239) is 2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1ccc(F)c(F)c1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The InChIKey is QPMOENTWPKFLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c27-20-2-1-18(8-21(20)28)25(34)32-4-3-19-22(13-32)29-14-30-24(19)31-23(33)12-26-9-15-5-16(10-26)7-17(6-15)11-26/h1-2,8,14-17H,3-7,9-13H2,(H,29,30,31,33).
What are the key properties of 2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
2-(1-adamantyl)-N-[7-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide has a molecular weight of 466.53 g/mol, XLogP of 4.50, 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-(3,4-difluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 59663239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).