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

C18H22N4O — CID 113050666

IUPACN-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2c3ccccc3CC2C)nn1
InChIInChI=1S/C18H22N4O/c1-3-4-9-18(23)19-16-10-11-17(21-20-16)22-13(2)12-14-7-5-6-8-15(14)22/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,19,20,23)
InChIKeyBRTWLBYXYVTKFK-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds5

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

N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide (PubChem CID 113050666) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide.

Molecular Properties

Compound NameN-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide
PubChem CID113050666
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2c3ccccc3CC2C)nn1
InChIInChI=1S/C18H22N4O/c1-3-4-9-18(23)19-16-10-11-17(21-20-16)22-13(2)12-14-7-5-6-8-15(14)22/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,19,20,23)
InChIKeyBRTWLBYXYVTKFK-UHFFFAOYSA-N
XLogP3.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
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]-3-phenylpropanamide
CID 113050693
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
N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]pentanamide
CID 113046126
N,N-diethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109124497
(2-methyl-2,3-dihydroindol-1-yl)-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]methanone
CID 109130258
N-butan-2-yl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109111708
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
N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109129886
N-cycloheptyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109125067

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide?
The IUPAC name of N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide (CID 113050666) is N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide.
What is the SMILES notation for N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide?
The canonical SMILES for N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide is CCCCC(=O)Nc1ccc(N2c3ccccc3CC2C)nn1.
What is the InChIKey of N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide?
The InChIKey is BRTWLBYXYVTKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-4-9-18(23)19-16-10-11-17(21-20-16)22-13(2)12-14-7-5-6-8-15(14)22/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,19,20,23).
What are the key properties of N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide?
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]pentanamide has a molecular weight of 310.40 g/mol, XLogP of 3.69, 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]pentanamide is sourced from PubChem (CID 113050666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).