N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide

C19H18N4O2S — CID 7207467

IUPACN-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C19H18N4O2S/c1-25-17-5-3-2-4-15(17)12-21-18(24)13-26-19-7-6-16(22-23-19)14-8-10-20-11-9-14/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeySYPXRVLFPTYZFS-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.96
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide

N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207467) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207467
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C19H18N4O2S/c1-25-17-5-3-2-4-15(17)12-21-18(24)13-26-19-7-6-16(22-23-19)14-8-10-20-11-9-14/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeySYPXRVLFPTYZFS-UHFFFAOYSA-N
XLogP2.96
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide (CID 7207467) is N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide is COc1ccccc1CNC(=O)CSc1ccc(-c2ccncc2)nn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is SYPXRVLFPTYZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-25-17-5-3-2-4-15(17)12-21-18(24)13-26-19-7-6-16(22-23-19)14-8-10-20-11-9-14/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 366.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).