6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide

C21H20N4O — CID 109127308

IUPAC6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(N3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C21H20N4O/c1-2-15-7-9-17(10-8-15)22-21(26)18-11-12-20(24-23-18)25-14-13-16-5-3-4-6-19(16)25/h3-12H,2,13-14H2,1H3,(H,22,26)
InChIKeyJOHFOVPEJNNDQU-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.99
Rot. Bonds4

About 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide

6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide (PubChem CID 109127308) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
PubChem CID109127308
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(N3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C21H20N4O/c1-2-15-7-9-17(10-8-15)22-21(26)18-11-12-20(24-23-18)25-14-13-16-5-3-4-6-19(16)25/h3-12H,2,13-14H2,1H3,(H,22,26)
InChIKeyJOHFOVPEJNNDQU-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-(2,3-dihydroindol-1-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109127345
5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
6-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109688
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118400
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
CID 109127449
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522344
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109371660
N-(4-ethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705292
N-(4-ethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200612

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide (CID 109127308) is 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide is CCc1ccc(NC(=O)c2ccc(N3CCc4ccccc43)nn2)cc1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
The InChIKey is JOHFOVPEJNNDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-15-7-9-17(10-8-15)22-21(26)18-11-12-20(24-23-18)25-14-13-16-5-3-4-6-19(16)25/h3-12H,2,13-14H2,1H3,(H,22,26).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109127308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).