4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide

C21H18FN5O — CID 113043194

IUPAC4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)nn1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O/c22-16-7-5-14(6-8-16)21(28)25-20-10-9-19(26-27-20)23-12-11-15-13-24-18-4-2-1-3-17(15)18/h1-10,13,24H,11-12H2,(H,23,26)(H,25,27,28)
InChIKeyGMDNCHGNXQZRAV-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.00
Rot. Bonds6

About 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide

4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide (PubChem CID 113043194) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide
PubChem CID113043194
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)nn1)c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O/c22-16-7-5-14(6-8-16)21(28)25-20-10-9-19(26-27-20)23-12-11-15-13-24-18-4-2-1-3-17(15)18/h1-10,13,24H,11-12H2,(H,23,26)(H,25,27,28)
InChIKeyGMDNCHGNXQZRAV-UHFFFAOYSA-N
XLogP4.00
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
CID 113028912
2-ethyl-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113043185
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813
2-(1H-indol-3-yl)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042337
N-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109237714
N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine
CID 27375773
N,N-diethyl-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159691
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
6-[2-(1H-indol-3-yl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151886

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide (CID 113043194) is 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCCc2c[nH]c3ccccc23)nn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide?
The InChIKey is GMDNCHGNXQZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-16-7-5-14(6-8-16)21(28)25-20-10-9-19(26-27-20)23-12-11-15-13-24-18-4-2-1-3-17(15)18/h1-10,13,24H,11-12H2,(H,23,26)(H,25,27,28).
What are the key properties of 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide?
4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide has a molecular weight of 375.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113043194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).