N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide

C22H22N4O — CID 113050693

IUPACN-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide
SMILESCC1Cc2ccccc2N1c1ccc(NC(=O)CCc2ccccc2)nn1
InChIInChI=1S/C22H22N4O/c1-16-15-18-9-5-6-10-19(18)26(16)21-13-12-20(24-25-21)23-22(27)14-11-17-7-3-2-4-8-17/h2-10,12-13,16H,11,14-15H2,1H3,(H,23,24,27)
InChIKeyGWHWZJSXJUUKRC-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.13
Rot. Bonds5

About N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide

N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide (PubChem CID 113050693) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide
PubChem CID113050693
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide
SMILESCC1Cc2ccccc2N1c1ccc(NC(=O)CCc2ccccc2)nn1
InChIInChI=1S/C22H22N4O/c1-16-15-18-9-5-6-10-19(18)26(16)21-13-12-20(24-25-21)23-22(27)14-11-17-7-3-2-4-8-17/h2-10,12-13,16H,11,14-15H2,1H3,(H,23,24,27)
InChIKeyGWHWZJSXJUUKRC-UHFFFAOYSA-N
XLogP4.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]butanamide
CID 113050663
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide
CID 113050666
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050688
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]oxane-4-carboxamide
CID 113050717
(2-methyl-2,3-dihydroindol-1-yl)-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]methanone
CID 109130258
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 84570544
N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109124497
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109122562
N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122738
3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide
CID 113043924
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126866
N-(4-chlorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109128795

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide (CID 113050693) is N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide is CC1Cc2ccccc2N1c1ccc(NC(=O)CCc2ccccc2)nn1.
What is the InChIKey of N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide?
The InChIKey is GWHWZJSXJUUKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-15-18-9-5-6-10-19(18)26(16)21-13-12-20(24-25-21)23-22(27)14-11-17-7-3-2-4-8-17/h2-10,12-13,16H,11,14-15H2,1H3,(H,23,24,27).
What are the key properties of N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide?
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide has a molecular weight of 358.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 113050693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).