N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide

C21H19ClN4O2 — CID 109129079

IUPACN-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3c4ccccc4CC3C)nn2)cc1Cl
InChIInChI=1S/C21H19ClN4O2/c1-13-11-14-5-3-4-6-18(14)26(13)20-10-8-17(24-25-20)21(27)23-15-7-9-19(28-2)16(22)12-15/h3-10,12-13H,11H2,1-2H3,(H,23,27)
InChIKeySVSRECQUUJKLEV-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.47
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide (PubChem CID 109129079) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
PubChem CID109129079
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3c4ccccc4CC3C)nn2)cc1Cl
InChIInChI=1S/C21H19ClN4O2/c1-13-11-14-5-3-4-6-18(14)26(13)20-10-8-17(24-25-20)21(27)23-15-7-9-19(28-2)16(22)12-15/h3-10,12-13H,11H2,1-2H3,(H,23,27)
InChIKeySVSRECQUUJKLEV-UHFFFAOYSA-N
XLogP4.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109128795
N-(3,4-difluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109130264
N-(3-acetamidophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109129886
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126866
N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109245677
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509434
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
N-cycloheptyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109125067
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109122562
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
N-(2-methoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109293406

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide (CID 109129079) is N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(N3c4ccccc4CC3C)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
The InChIKey is SVSRECQUUJKLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-13-11-14-5-3-4-6-18(14)26(13)20-10-8-17(24-25-20)21(27)23-15-7-9-19(28-2)16(22)12-15/h3-10,12-13H,11H2,1-2H3,(H,23,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).