N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide

C16H13BrN4O2 — CID 18165544

IUPACN-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3ncccc3c2=O)c(Br)c1
InChIInChI=1S/C16H13BrN4O2/c1-10-4-5-13(12(17)7-10)20-14(22)8-21-9-19-15-11(16(21)23)3-2-6-18-15/h2-7,9H,8H2,1H3,(H,20,22)
InChIKeyGITWWTRKQBYXJP-UHFFFAOYSA-N
MW373.21 g/mol
LogP2.50
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide

N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 18165544) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID18165544
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3ncccc3c2=O)c(Br)c1
InChIInChI=1S/C16H13BrN4O2/c1-10-4-5-13(12(17)7-10)20-14(22)8-21-9-19-15-11(16(21)23)3-2-6-18-15/h2-7,9H,8H2,1H3,(H,20,22)
InChIKeyGITWWTRKQBYXJP-UHFFFAOYSA-N
XLogP2.50
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165508
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 18165536
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18165522
N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165506
N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50926936
N-(2-chloro-4-methylphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 27373049
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 95924688
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858697

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 18165544) is N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide is Cc1ccc(NC(=O)Cn2cnc3ncccc3c2=O)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is GITWWTRKQBYXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-10-4-5-13(12(17)7-10)20-14(22)8-21-9-19-15-11(16(21)23)3-2-6-18-15/h2-7,9H,8H2,1H3,(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 373.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 18165544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).