2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide

C26H30N4O3 — CID 53031415

IUPAC2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(OC)c1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C26H30N4O3/c1-3-8-24-28-23-17-29(16-19-9-5-4-6-10-19)14-13-22(23)26(32)30(24)18-25(31)27-20-11-7-12-21(15-20)33-2/h4-7,9-12,15H,3,8,13-14,16-18H2,1-2H3,(H,27,31)
InChIKeyYHTJKQFJYSMDOY-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.40
Rot. Bonds8

About 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 53031415) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID53031415
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(OC)c1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C26H30N4O3/c1-3-8-24-28-23-17-29(16-19-9-5-4-6-10-19)14-13-22(23)26(32)30(24)18-25(31)27-20-11-7-12-21(15-20)33-2/h4-7,9-12,15H,3,8,13-14,16-18H2,1-2H3,(H,27,31)
InChIKeyYHTJKQFJYSMDOY-UHFFFAOYSA-N
XLogP3.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide (CID 53031415) is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide is CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(OC)c1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is YHTJKQFJYSMDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-8-24-28-23-17-29(16-19-9-5-4-6-10-19)14-13-22(23)26(32)30(24)18-25(31)27-20-11-7-12-21(15-20)33-2/h4-7,9-12,15H,3,8,13-14,16-18H2,1-2H3,(H,27,31).
What are the key properties of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide?
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 53031415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).