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

C17H19BrN4O2 — CID 175651368

IUPACN-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(c(=O)n1C)CN(CC(=O)Nc1ccc(Br)cc1)CC2
InChIInChI=1S/C17H19BrN4O2/c1-11-19-15-7-8-22(9-14(15)17(24)21(11)2)10-16(23)20-13-5-3-12(18)4-6-13/h3-6H,7-10H2,1-2H3,(H,20,23)
InChIKeyNVGLQRMGYBPLRV-UHFFFAOYSA-N
MW391.27 g/mol
LogP1.85
Rot. Bonds3

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

N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide (PubChem CID 175651368) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
PubChem CID175651368
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC NameN-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(c(=O)n1C)CN(CC(=O)Nc1ccc(Br)cc1)CC2
InChIInChI=1S/C17H19BrN4O2/c1-11-19-15-7-8-22(9-14(15)17(24)21(11)2)10-16(23)20-13-5-3-12(18)4-6-13/h3-6H,7-10H2,1-2H3,(H,20,23)
InChIKeyNVGLQRMGYBPLRV-UHFFFAOYSA-N
XLogP1.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 175651518
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
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-[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
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660272
N-(4-methoxyphenyl)-2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide
CID 92625742
2,3-dimethyl-6-[(3-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 175651292
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 66308143
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 17477048

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide (CID 175651368) is N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide is Cc1nc2c(c(=O)n1C)CN(CC(=O)Nc1ccc(Br)cc1)CC2.
What is the InChIKey of N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is NVGLQRMGYBPLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-11-19-15-7-8-22(9-14(15)17(24)21(11)2)10-16(23)20-13-5-3-12(18)4-6-13/h3-6H,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide?
N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 391.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 175651368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).