N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide

C16H13BrN6O2S — CID 56661803

IUPACN-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ncccc21)Nc1scc(Br)c1-c1ncn[nH]1
InChIInChI=1S/C16H13BrN6O2S/c17-9-7-26-16(14(9)15-19-8-20-22-15)21-12(24)6-23-11-2-1-5-18-10(11)3-4-13(23)25/h1-2,5,7-8H,3-4,6H2,(H,21,24)(H,19,20,22)
InChIKeyJIQMILPCZGXYEY-UHFFFAOYSA-N
MW433.29 g/mol
LogP2.61
Rot. Bonds4

About N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide

N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide (PubChem CID 56661803) has the molecular formula C16H13BrN6O2S and a molecular weight of 433.29 g/mol. Its IUPAC name is N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide
PubChem CID56661803
Molecular FormulaC16H13BrN6O2S
Molecular Weight433.29 g/mol
Exact Mass432.00
IUPAC NameN-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ncccc21)Nc1scc(Br)c1-c1ncn[nH]1
InChIInChI=1S/C16H13BrN6O2S/c17-9-7-26-16(14(9)15-19-8-20-22-15)21-12(24)6-23-11-2-1-5-18-10(11)3-4-13(23)25/h1-2,5,7-8H,3-4,6H2,(H,21,24)(H,19,20,22)
InChIKeyJIQMILPCZGXYEY-UHFFFAOYSA-N
XLogP2.61
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-methylidene-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide
CID 70226839
N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 46869882
N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-N-methyl-2-(2-methylidene-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide
CID 134342617
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide
CID 46869743
N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(5-fluoro-2-oxo-1H-quinolin-3-yl)acetamide
CID 90742857
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 22576576
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865580
4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 68785057
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 18127599
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933649
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 3279249
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2337188

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide?
The IUPAC name of N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide (CID 56661803) is N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide.
What is the SMILES notation for N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide?
The canonical SMILES for N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide is O=C(CN1C(=O)CCc2ncccc21)Nc1scc(Br)c1-c1ncn[nH]1.
What is the InChIKey of N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide?
The InChIKey is JIQMILPCZGXYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN6O2S/c17-9-7-26-16(14(9)15-19-8-20-22-15)21-12(24)6-23-11-2-1-5-18-10(11)3-4-13(23)25/h1-2,5,7-8H,3-4,6H2,(H,21,24)(H,19,20,22).
What are the key properties of N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide?
N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide has a molecular weight of 433.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide is sourced from PubChem (CID 56661803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).