N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide

C22H21N5O2 — CID 109129886

IUPACN-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(N3c4ccccc4CC3C)nn2)c1
InChIInChI=1S/C22H21N5O2/c1-14-12-16-6-3-4-9-20(16)27(14)21-11-10-19(25-26-21)22(29)24-18-8-5-7-17(13-18)23-15(2)28/h3-11,13-14H,12H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyWQGOZPFKJXRVRB-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.77
Rot. Bonds4

About N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide

N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide (PubChem CID 109129886) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
PubChem CID109129886
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(N3c4ccccc4CC3C)nn2)c1
InChIInChI=1S/C22H21N5O2/c1-14-12-16-6-3-4-9-20(16)27(14)21-11-10-19(25-26-21)22(29)24-18-8-5-7-17(13-18)23-15(2)28/h3-11,13-14H,12H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyWQGOZPFKJXRVRB-UHFFFAOYSA-N
XLogP3.77
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109130264
N-(4-chlorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109128795
N-(3-acetamidophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109294117
N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109129079
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126866
N-(3-acetylphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109294041
N-cycloheptyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109125067
N-butan-2-yl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109111708
(2-methyl-2,3-dihydroindol-1-yl)-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]methanone
CID 109130258
methyl 3-[[5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109294195
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109122562
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]butanamide
CID 113050663

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide (CID 109129886) is N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(N3c4ccccc4CC3C)nn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
The InChIKey is WQGOZPFKJXRVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-12-16-6-3-4-9-20(16)27(14)21-11-10-19(25-26-21)22(29)24-18-8-5-7-17(13-18)23-15(2)28/h3-11,13-14H,12H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).