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

C24H28N4O2S — CID 53143483

IUPAC2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)c1nc2c(c(=O)n1CC(=O)NCc1cccs1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H28N4O2S/c1-17(2)23-26-21-10-11-27(14-18-7-4-3-5-8-18)15-20(21)24(30)28(23)16-22(29)25-13-19-9-6-12-31-19/h3-9,12,17H,10-11,13-16H2,1-2H3,(H,25,29)
InChIKeyURJUCPRZCUOGNA-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.30
Rot. Bonds7

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

2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 53143483) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID53143483
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)c1nc2c(c(=O)n1CC(=O)NCc1cccs1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H28N4O2S/c1-17(2)23-26-21-10-11-27(14-18-7-4-3-5-8-18)15-20(21)24(30)28(23)16-22(29)25-13-19-9-6-12-31-19/h3-9,12,17H,10-11,13-16H2,1-2H3,(H,25,29)
InChIKeyURJUCPRZCUOGNA-UHFFFAOYSA-N
XLogP3.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 53143483) is 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide is CC(C)c1nc2c(c(=O)n1CC(=O)NCc1cccs1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is URJUCPRZCUOGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-17(2)23-26-21-10-11-27(14-18-7-4-3-5-8-18)15-20(21)24(30)28(23)16-22(29)25-13-19-9-6-12-31-19/h3-9,12,17H,10-11,13-16H2,1-2H3,(H,25,29).
What are the key properties of 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-4-oxo-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 53143483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).