N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide

C20H24N6O — CID 109116156

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)nn2)CC1
InChIInChI=1S/C20H24N6O/c1-25-10-12-26(13-11-25)19-7-6-18(23-24-19)20(27)21-9-8-15-14-22-17-5-3-2-4-16(15)17/h2-7,14,22H,8-13H2,1H3,(H,21,27)
InChIKeyDPCWEMDXHHRXLJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.68
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109116156) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109116156
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)nn2)CC1
InChIInChI=1S/C20H24N6O/c1-25-10-12-26(13-11-25)19-7-6-18(23-24-19)20(27)21-9-8-15-14-22-17-5-3-2-4-16(15)17/h2-7,14,22H,8-13H2,1H3,(H,21,27)
InChIKeyDPCWEMDXHHRXLJ-UHFFFAOYSA-N
XLogP1.68
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 74230811
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
CID 21187563
5-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109279191
N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
CID 22115646
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46855458
6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109154902
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118016

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109116156) is N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide is CN1CCN(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)nn2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is DPCWEMDXHHRXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-25-10-12-26(13-11-25)19-7-6-18(23-24-19)20(27)21-9-8-15-14-22-17-5-3-2-4-16(15)17/h2-7,14,22H,8-13H2,1H3,(H,21,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).