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

C25H28N4O3 — CID 53143444

IUPAC2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(OC)cc1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H28N4O3/c1-3-23-27-22-13-14-28(15-18-7-5-4-6-8-18)16-21(22)25(31)29(23)17-24(30)26-19-9-11-20(32-2)12-10-19/h4-12H,3,13-17H2,1-2H3,(H,26,30)
InChIKeyYJOHXFHDVCIBHD-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.01
Rot. Bonds7

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

2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 53143444) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID53143444
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(OC)cc1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H28N4O3/c1-3-23-27-22-13-14-28(15-18-7-5-4-6-8-18)16-21(22)25(31)29(23)17-24(30)26-19-9-11-20(32-2)12-10-19/h4-12H,3,13-17H2,1-2H3,(H,26,30)
InChIKeyYJOHXFHDVCIBHD-UHFFFAOYSA-N
XLogP3.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Tpn171
CID 136197286
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CID 862743
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CID 863795
3-(Diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one
CID 4825858
N-(4-Methoxy-phenyl)-3-[4-(3-phenyl-allyl)-piperazin-1-yl]-propionamide
CID 5730810
N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide
CID 135996001
N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]-2-piperidin-1-ylacetamide
CID 136197398
6-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136379629
N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
CID 146160666
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 763257
N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
CID 862742
N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]butanamide
CID 4979289

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide (CID 53143444) is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide is CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(OC)cc1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is YJOHXFHDVCIBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-23-27-22-13-14-28(15-18-7-5-4-6-8-18)16-21(22)25(31)29(23)17-24(30)26-19-9-11-20(32-2)12-10-19/h4-12H,3,13-17H2,1-2H3,(H,26,30).
What are the key properties of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide?
2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 432.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 53143444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).