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

C21H25N5O — CID 109123273

IUPAC6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C21H25N5O/c27-21(22-12-11-16-15-23-18-8-4-3-7-17(16)18)19-9-10-20(25-24-19)26-13-5-1-2-6-14-26/h3-4,7-10,15,23H,1-2,5-6,11-14H2,(H,22,27)
InChIKeyQKYMRKRWYLMVIM-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.31
Rot. Bonds5

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

6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 109123273) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
PubChem CID109123273
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCCCCC2)nn1
InChIInChI=1S/C21H25N5O/c27-21(22-12-11-16-15-23-18-8-4-3-7-17(16)18)19-9-10-20(25-24-19)26-13-5-1-2-6-14-26/h3-4,7-10,15,23H,1-2,5-6,11-14H2,(H,22,27)
InChIKeyQKYMRKRWYLMVIM-UHFFFAOYSA-N
XLogP3.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
2-(1H-indol-3-yl)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121053812
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 90514654
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
5-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109279191
N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027842
6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109154902
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 30361698
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide (CID 109123273) is 6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCCCCC2)nn1.
What is the InChIKey of 6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is QKYMRKRWYLMVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(22-12-11-16-15-23-18-8-4-3-7-17(16)18)19-9-10-20(25-24-19)26-13-5-1-2-6-14-26/h3-4,7-10,15,23H,1-2,5-6,11-14H2,(H,22,27).
What are the key properties of 6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide?
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109123273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).