N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide

C25H26N4O3 — CID 171146420

IUPACN-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)nc3c(c2=O)CN(C)CC3)cc1
InChIInChI=1S/C25H26N4O3/c1-16-4-6-19(7-5-16)24-27-22-12-13-28(3)14-21(22)25(32)29(24)15-23(31)26-20-10-8-18(9-11-20)17(2)30/h4-11H,12-15H2,1-3H3,(H,26,31)
InChIKeyLAVIQVLHHNTPRV-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.05
Rot. Bonds5

About N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide

N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide (PubChem CID 171146420) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
PubChem CID171146420
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)nc3c(c2=O)CN(C)CC3)cc1
InChIInChI=1S/C25H26N4O3/c1-16-4-6-19(7-5-16)24-27-22-12-13-28(3)14-21(22)25(32)29(24)15-23(31)26-20-10-8-18(9-11-20)17(2)30/h4-11H,12-15H2,1-3H3,(H,26,31)
InChIKeyLAVIQVLHHNTPRV-UHFFFAOYSA-N
XLogP3.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 53031321
2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 171146425
ethyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 53031305
N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 175651368
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
CID 53109812
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91911984
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
N-(4-acetylphenyl)-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680389
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
methyl N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529041
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
N-(4-acetylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197196

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide (CID 171146420) is N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide is CC(=O)c1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)nc3c(c2=O)CN(C)CC3)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is LAVIQVLHHNTPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-4-6-19(7-5-16)24-27-22-12-13-28(3)14-21(22)25(32)29(24)15-23(31)26-20-10-8-18(9-11-20)17(2)30/h4-11H,12-15H2,1-3H3,(H,26,31).
What are the key properties of N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[6-methyl-2-(4-methylphenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 171146420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).