N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide

C22H18BrN5O3 — CID 16951760

IUPACN-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)ccc1Br
InChIInChI=1S/C22H18BrN5O3/c1-14-11-15(7-8-17(14)23)26-19(29)13-27-18-6-4-10-25-20(18)21(30)28(22(27)31)12-16-5-2-3-9-24-16/h2-11H,12-13H2,1H3,(H,26,29)
InChIKeyVAEJNWMBNMBNFM-UHFFFAOYSA-N
MW480.32 g/mol
LogP2.71
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide

N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 16951760) has the molecular formula C22H18BrN5O3 and a molecular weight of 480.32 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID16951760
Molecular FormulaC22H18BrN5O3
Molecular Weight480.32 g/mol
Exact Mass479.06
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)ccc1Br
InChIInChI=1S/C22H18BrN5O3/c1-14-11-15(7-8-17(14)23)26-19(29)13-27-18-6-4-10-25-20(18)21(30)28(22(27)31)12-16-5-2-3-9-24-16/h2-11H,12-13H2,1H3,(H,26,29)
InChIKeyVAEJNWMBNMBNFM-UHFFFAOYSA-N
XLogP2.71
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16951989
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16951783
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16952012
N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062947
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240709
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505531
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505529
2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41240407
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 27655945
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 41240408
2-[2,4-dioxo-3-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 16841958

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide (CID 16951760) is N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide is Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is VAEJNWMBNMBNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O3/c1-14-11-15(7-8-17(14)23)26-19(29)13-27-18-6-4-10-25-20(18)21(30)28(22(27)31)12-16-5-2-3-9-24-16/h2-11H,12-13H2,1H3,(H,26,29).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 480.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 16951760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).