N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide

C23H20N4O — CID 156653629

IUPACN-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide
SMILESCC#CN1CCc2cc(-c3nnccc3CNC(=O)c3ccccc3)ccc21
InChIInChI=1S/C23H20N4O/c1-2-13-27-14-11-18-15-19(8-9-21(18)27)22-20(10-12-25-26-22)16-24-23(28)17-6-4-3-5-7-17/h3-10,12,15H,11,14,16H2,1H3,(H,24,28)
InChIKeyLZFIILDTALXPLU-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.42
Rot. Bonds4

About N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide

N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide (PubChem CID 156653629) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide
PubChem CID156653629
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide
SMILESCC#CN1CCc2cc(-c3nnccc3CNC(=O)c3ccccc3)ccc21
InChIInChI=1S/C23H20N4O/c1-2-13-27-14-11-18-15-19(8-9-21(18)27)22-20(10-12-25-26-22)16-24-23(28)17-6-4-3-5-7-17/h3-10,12,15H,11,14,16H2,1H3,(H,24,28)
InChIKeyLZFIILDTALXPLU-UHFFFAOYSA-N
XLogP3.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-oxazol-5-ylmethyl)-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzamide
CID 156653633
3-fluoro-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzoic acid
CID 156653542
2-methoxy-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzoic acid
CID 156653578
4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360604
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
N-[2-(5-acetyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 110746143
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55788815
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
[2-(benzamidomethyl)phenyl]boronic acid
CID 10244067
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 71018529

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide?
The IUPAC name of N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide (CID 156653629) is N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide?
The canonical SMILES for N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide is CC#CN1CCc2cc(-c3nnccc3CNC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide?
The InChIKey is LZFIILDTALXPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-13-27-14-11-18-15-19(8-9-21(18)27)22-20(10-12-25-26-22)16-24-23(28)17-6-4-3-5-7-17/h3-10,12,15H,11,14,16H2,1H3,(H,24,28).
What are the key properties of N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide?
N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)pyridazin-4-yl]methyl]benzamide is sourced from PubChem (CID 156653629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).