N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C15H17N3O4 — CID 660163

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)[nH]n2)cc1OC
InChIInChI=1S/C15H17N3O4/c1-21-12-5-3-10(9-13(12)22-2)7-8-16-15(20)11-4-6-14(19)18-17-11/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYDZTVAQGEFJYMR-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.76
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 660163) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID660163
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(=O)[nH]n2)cc1OC
InChIInChI=1S/C15H17N3O4/c1-21-12-5-3-10(9-13(12)22-2)7-8-16-15(20)11-4-6-14(19)18-17-11/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYDZTVAQGEFJYMR-UHFFFAOYSA-N
XLogP0.76
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide 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-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 660163) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(=O)[nH]n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YDZTVAQGEFJYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-21-12-5-3-10(9-13(12)22-2)7-8-16-15(20)11-4-6-14(19)18-17-11/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 660163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).