N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

C19H23ClN4O3S — CID 135546917

IUPACN-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCOCCN1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H23ClN4O3S/c1-12-3-4-13(9-15(12)20)21-17(25)11-28-19-22-16-5-6-24(7-8-27-2)10-14(16)18(26)23-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyJGUIGHDBIKNEOI-UHFFFAOYSA-N
MW422.94 g/mol
LogP2.47
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135546917) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID135546917
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCOCCN1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H23ClN4O3S/c1-12-3-4-13(9-15(12)20)21-17(25)11-28-19-22-16-5-6-24(7-8-27-2)10-14(16)18(26)23-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyJGUIGHDBIKNEOI-UHFFFAOYSA-N
XLogP2.47
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 135433174
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-6-propyl-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135546918
N-(3-chloro-4-methylphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259078
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
CID 1264253
N-(3-Chloro-2-methylphenyl)-2-(morpholin-4-YL)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 16025990
N3-(3-Chloro-4-methylphenyl)-7-methyl-5-oxo-N2-phenyl-5H-[1,3]thiazolo[3,2-A]pyrimidine-2,3-dicarboxamide
CID 1426226
N-(3-chloro-4-methylphenyl)-2-[4-oxo-3-(3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide
CID 4132205
2-[(4-amino-6-oxo-5-phenyl-1,6-dihydro-2-pyrimidinyl)thio]-N-(3-chloro-4-methylphenyl)acetamide
CID 135414686
Sdccgsbi-0096226.P001
CID 135546866
2-({6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(5-chloro-2-methylphenyl)acetamide
CID 135546908
N-(2-chlorophenyl)-2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CID 135546914
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(3-chlorophenyl)propanamide
CID 4919116

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (CID 135546917) is N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is COCCN1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is JGUIGHDBIKNEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c1-12-3-4-13(9-15(12)20)21-17(25)11-28-19-22-16-5-6-24(7-8-27-2)10-14(16)18(26)23-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 422.94 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[[6-(2-methoxyethyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135546917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).