N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide

C20H24N4O — CID 50960208

IUPACN-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide
SMILESCCCC1C=CCN1Cc1ccc(C(=O)Nc2ccc(C)nn2)cc1
InChIInChI=1S/C20H24N4O/c1-3-5-18-6-4-13-24(18)14-16-8-10-17(11-9-16)20(25)21-19-12-7-15(2)22-23-19/h4,6-12,18H,3,5,13-14H2,1-2H3,(H,21,23,25)
InChIKeyWQYLGMUUUYYYKS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.58
Rot. Bonds6

About N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide

N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide (PubChem CID 50960208) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide
PubChem CID50960208
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide
SMILESCCCC1C=CCN1Cc1ccc(C(=O)Nc2ccc(C)nn2)cc1
InChIInChI=1S/C20H24N4O/c1-3-5-18-6-4-13-24(18)14-16-8-10-17(11-9-16)20(25)21-19-12-7-15(2)22-23-19/h4,6-12,18H,3,5,13-14H2,1-2H3,(H,21,23,25)
InChIKeyWQYLGMUUUYYYKS-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide?
The IUPAC name of N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide (CID 50960208) is N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide?
The canonical SMILES for N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide is CCCC1C=CCN1Cc1ccc(C(=O)Nc2ccc(C)nn2)cc1.
What is the InChIKey of N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide?
The InChIKey is WQYLGMUUUYYYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-5-18-6-4-13-24(18)14-16-8-10-17(11-9-16)20(25)21-19-12-7-15(2)22-23-19/h4,6-12,18H,3,5,13-14H2,1-2H3,(H,21,23,25).
What are the key properties of N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide?
N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide is sourced from PubChem (CID 50960208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).