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

C17H15BrN4O2S — CID 135514908

IUPACN-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3ccc(Br)cc3)nc2n1
InChIInChI=1S/C17H15BrN4O2S/c1-9-7-10(2)19-15-14(9)16(24)22-17(21-15)25-8-13(23)20-12-5-3-11(18)4-6-12/h3-7H,8H2,1-2H3,(H,20,23)(H,19,21,22,24)
InChIKeyGKOVYAPNLFAHKL-UHFFFAOYSA-N
MW419.30 g/mol
LogP3.43
Rot. Bonds4

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

N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135514908) has the molecular formula C17H15BrN4O2S and a molecular weight of 419.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135514908
Molecular FormulaC17H15BrN4O2S
Molecular Weight419.30 g/mol
Exact Mass418.01
IUPAC NameN-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3ccc(Br)cc3)nc2n1
InChIInChI=1S/C17H15BrN4O2S/c1-9-7-10(2)19-15-14(9)16(24)22-17(21-15)25-8-13(23)20-12-5-3-11(18)4-6-12/h3-7H,8H2,1-2H3,(H,20,23)(H,19,21,22,24)
InChIKeyGKOVYAPNLFAHKL-UHFFFAOYSA-N
XLogP3.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
CID 135412573
5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one
CID 135433270
2-((4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenylacetamide
CID 135450655
N,N-Diethyl-2-(4-hydroxy-5,7-dimethyl-pyrido[2,3-d]pyrimidin-2-ylsulfanyl)-acetamide
CID 135463056
5,7-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one
CID 135464780
N-[4-(Dimethylamino)phenyl]-2-({4-hydroxy-5,7-dimethylpyrido[2,3-D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135467387
2-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 16014791
2-amino-6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 17560138
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-D]pyrimidin-2-YL}sulfanyl)-N-(3-methylphenyl)acetamide
CID 135422791
2-(4-Hydroxy-5,7-dimethyl-pyrido[2,3-d]pyrimidin-2-ylsulfanyl)-N-p-tolyl-acetamide
CID 135422792
N-[4-(Diethylamino)phenyl]-2-({4-hydroxy-5,7-dimethylpyrido[2,3-D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135467388
N-benzyl-2-((4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)thio)acetamide
CID 135467389

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 135514908) is N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(C)c2c(=O)[nH]c(SCC(=O)Nc3ccc(Br)cc3)nc2n1.
What is the InChIKey of N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is GKOVYAPNLFAHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2S/c1-9-7-10(2)19-15-14(9)16(24)22-17(21-15)25-8-13(23)20-12-5-3-11(18)4-6-12/h3-7H,8H2,1-2H3,(H,20,23)(H,19,21,22,24).
What are the key properties of N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 419.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135514908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).