N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

C19H20N4O3S — CID 134009028

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H20N4O3S/c1-12-5-4-6-13(7-12)10-27-11-16(24)21-14-8-15-17(20-9-14)22(2)19(26)23(3)18(15)25/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyINJKFRLVPRZTLU-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.81
Rot. Bonds5

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 134009028) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID134009028
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H20N4O3S/c1-12-5-4-6-13(7-12)10-27-11-16(24)21-14-8-15-17(20-9-14)22(2)19(26)23(3)18(15)25/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyINJKFRLVPRZTLU-UHFFFAOYSA-N
XLogP1.81
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55457131
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 134009078
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide
CID 134009089
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55457228
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 134009111
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-fluorophenyl)propanamide
CID 55457312
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
CID 132971059
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
CID 134008986
3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55607526
3-(2-chlorophenyl)sulfanyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 134008966
6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 154751912
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 134009028) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is INJKFRLVPRZTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12-5-4-6-13(7-12)10-27-11-16(24)21-14-8-15-17(20-9-14)22(2)19(26)23(3)18(15)25/h4-9H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 134009028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).