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

C23H24N4O2 — CID 109122562

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3c4ccccc4CC3C)nn2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-15-18-5-3-4-6-21(18)27(16)22-12-11-20(25-26-22)23(28)24-14-13-17-7-9-19(29-2)10-8-17/h3-12,16H,13-15H2,1-2H3,(H,24,28)
InChIKeyFMHXQHVKERLUBP-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.54
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide (PubChem CID 109122562) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
PubChem CID109122562
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3c4ccccc4CC3C)nn2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-15-18-5-3-4-6-21(18)27(16)22-12-11-20(25-26-22)23(28)24-14-13-17-7-9-19(29-2)10-8-17/h3-12,16H,13-15H2,1-2H3,(H,24,28)
InChIKeyFMHXQHVKERLUBP-UHFFFAOYSA-N
XLogP3.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109284771
N-[2-(4-methoxyphenyl)ethyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112954535
N-cycloheptyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109125067
N-[2-(4-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705227
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-butan-2-yl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109111708
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863
N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122738
N-(4-chlorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109128795
6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126866
N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109172647

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide (CID 109122562) is N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(N3c4ccccc4CC3C)nn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
The InChIKey is FMHXQHVKERLUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-15-18-5-3-4-6-21(18)27(16)22-12-11-20(25-26-22)23(28)24-14-13-17-7-9-19(29-2)10-8-17/h3-12,16H,13-15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109122562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).