N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

C18H13ClN4O2S — CID 52992513

IUPACN-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H13ClN4O2S/c1-11(18(25)21-15-9-13(19)5-4-12(15)10-20)23-17(24)7-6-14(22-23)16-3-2-8-26-16/h2-9,11H,1H3,(H,21,25)
InChIKeyBFVSMYAMXAXOLE-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.70
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 52992513) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
PubChem CID52992513
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H13ClN4O2S/c1-11(18(25)21-15-9-13(19)5-4-12(15)10-20)23-17(24)7-6-14(22-23)16-3-2-8-26-16/h2-9,11H,1H3,(H,21,25)
InChIKeyBFVSMYAMXAXOLE-UHFFFAOYSA-N
XLogP3.70
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 52992513) is N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is CC(C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The InChIKey is BFVSMYAMXAXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c1-11(18(25)21-15-9-13(19)5-4-12(15)10-20)23-17(24)7-6-14(22-23)16-3-2-8-26-16/h2-9,11H,1H3,(H,21,25).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 384.85 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 52992513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).