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

C22H18ClN5O3 — CID 16951854

IUPACN-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21
InChIInChI=1S/C22H18ClN5O3/c1-14-16(23)6-2-7-17(14)26-19(29)13-27-18-8-4-10-25-20(18)21(30)28(22(27)31)12-15-5-3-9-24-11-15/h2-11H,12-13H2,1H3,(H,26,29)
InChIKeyXSJUWSYWUKVXKJ-UHFFFAOYSA-N
MW435.87 g/mol
LogP2.60
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 16951854) has the molecular formula C22H18ClN5O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID16951854
Molecular FormulaC22H18ClN5O3
Molecular Weight435.87 g/mol
Exact Mass435.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21
InChIInChI=1S/C22H18ClN5O3/c1-14-16(23)6-2-7-17(14)26-19(29)13-27-18-8-4-10-25-20(18)21(30)28(22(27)31)12-15-5-3-9-24-11-15/h2-11H,12-13H2,1H3,(H,26,29)
InChIKeyXSJUWSYWUKVXKJ-UHFFFAOYSA-N
XLogP2.60
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-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

2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 41233349
2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 16951903
N-(2,5-dichlorophenyl)-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16951972
2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 27655945
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16952012
N-(3-chloro-2-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46860994
N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16801730
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16952025
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505531
N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16951989
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41233512

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide (CID 16951854) is N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is XSJUWSYWUKVXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3/c1-14-16(23)6-2-7-17(14)26-19(29)13-27-18-8-4-10-25-20(18)21(30)28(22(27)31)12-15-5-3-9-24-11-15/h2-11H,12-13H2,1H3,(H,26,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 435.87 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2,4-dioxo-3-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 16951854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).