N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C17H17Cl2N3O3 — CID 9492189

IUPACN-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C2CC2)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-25-13-6-2-11(3-7-13)9-21(12-4-5-12)15(23)10-22-17(24)16(19)14(18)8-20-22/h2-3,6-8,12H,4-5,9-10H2,1H3
InChIKeyZRBKLWBQZHURGJ-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.75
Rot. Bonds6

About N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 9492189) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID9492189
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC NameN-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C2CC2)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-25-13-6-2-11(3-7-13)9-21(12-4-5-12)15(23)10-22-17(24)16(19)14(18)8-20-22/h2-3,6-8,12H,4-5,9-10H2,1H3
InChIKeyZRBKLWBQZHURGJ-UHFFFAOYSA-N
XLogP2.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide 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-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 9492189) is N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is ZRBKLWBQZHURGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-25-13-6-2-11(3-7-13)9-21(12-4-5-12)15(23)10-22-17(24)16(19)14(18)8-20-22/h2-3,6-8,12H,4-5,9-10H2,1H3.
What are the key properties of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 382.25 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9492189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).