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

C19H24N4O4 — CID 91920227

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3cn[nH]c(=O)c3)C2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-26-16-4-3-13(9-17(16)27-2)5-7-20-19(25)14-6-8-23(12-14)15-10-18(24)22-21-11-15/h3-4,9-11,14H,5-8,12H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyMORQVVGWYOSVRW-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.97
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 91920227) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
PubChem CID91920227
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3cn[nH]c(=O)c3)C2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-26-16-4-3-13(9-17(16)27-2)5-7-20-19(25)14-6-8-23(12-14)15-10-18(24)22-21-11-15/h3-4,9-11,14H,5-8,12H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyMORQVVGWYOSVRW-UHFFFAOYSA-N
XLogP0.97
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-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]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (CID 91920227) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is COc1ccc(CCNC(=O)C2CCN(c3cn[nH]c(=O)c3)C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is MORQVVGWYOSVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-26-16-4-3-13(9-17(16)27-2)5-7-20-19(25)14-6-8-23(12-14)15-10-18(24)22-21-11-15/h3-4,9-11,14H,5-8,12H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91920227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).