3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide

C24H24N4O4 — CID 134801263

IUPAC3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccc(-c4ccc(OC)nn4)cc3)C2)c1
InChIInChI=1S/C24H24N4O4/c1-31-20-5-3-4-18(14-20)23(29)25-19-12-13-28(15-19)24(30)17-8-6-16(7-9-17)21-10-11-22(32-2)27-26-21/h3-11,14,19H,12-13,15H2,1-2H3,(H,25,29)
InChIKeyZNWXFNLICMDRJF-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.81
Rot. Bonds6

About 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide

3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide (PubChem CID 134801263) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide
PubChem CID134801263
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccc(-c4ccc(OC)nn4)cc3)C2)c1
InChIInChI=1S/C24H24N4O4/c1-31-20-5-3-4-18(14-20)23(29)25-19-12-13-28(15-19)24(30)17-8-6-16(7-9-17)21-10-11-22(32-2)27-26-21/h3-11,14,19H,12-13,15H2,1-2H3,(H,25,29)
InChIKeyZNWXFNLICMDRJF-UHFFFAOYSA-N
XLogP2.81
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide (CID 134801263) is 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide is COc1cccc(C(=O)NC2CCN(C(=O)c3ccc(-c4ccc(OC)nn4)cc3)C2)c1.
What is the InChIKey of 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
The InChIKey is ZNWXFNLICMDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-31-20-5-3-4-18(14-20)23(29)25-19-12-13-28(15-19)24(30)17-8-6-16(7-9-17)21-10-11-22(32-2)27-26-21/h3-11,14,19H,12-13,15H2,1-2H3,(H,25,29).
What are the key properties of 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 134801263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).