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

C30H34N4O2 — CID 24856639

IUPAC2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(-c3ccccc3)o1)C2
InChIInChI=1S/C30H34N4O2/c35-28(16-30-13-20-10-21(14-30)12-22(11-20)15-30)33-29-25-8-9-34(18-26(25)31-19-32-29)17-24-6-7-27(36-24)23-4-2-1-3-5-23/h1-7,19-22H,8-18H2,(H,31,32,33,35)
InChIKeyDYIGWHXOAPQCCL-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.84
Rot. Bonds6

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

2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (PubChem CID 24856639) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
PubChem CID24856639
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(-c3ccccc3)o1)C2
InChIInChI=1S/C30H34N4O2/c35-28(16-30-13-20-10-21(14-30)12-22(11-20)15-30)33-29-25-8-9-34(18-26(25)31-19-32-29)17-24-6-7-27(36-24)23-4-2-1-3-5-23/h1-7,19-22H,8-18H2,(H,31,32,33,35)
InChIKeyDYIGWHXOAPQCCL-UHFFFAOYSA-N
XLogP5.84
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide (CID 24856639) is 2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(-c3ccccc3)o1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
The InChIKey is DYIGWHXOAPQCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c35-28(16-30-13-20-10-21(14-30)12-22(11-20)15-30)33-29-25-8-9-34(18-26(25)31-19-32-29)17-24-6-7-27(36-24)23-4-2-1-3-5-23/h1-7,19-22H,8-18H2,(H,31,32,33,35).
What are the key properties of 2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide?
2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide has a molecular weight of 482.63 g/mol, XLogP of 5.84, 6 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-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24856639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).