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

C21H17F2N5O — CID 109123298

IUPAC6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C21H17F2N5O/c22-15-5-3-6-16(23)20(15)26-19-9-8-18(27-28-19)21(29)24-11-10-13-12-25-17-7-2-1-4-14(13)17/h1-9,12,25H,10-11H2,(H,24,29)(H,26,28)
InChIKeyWFVNUNHXHPLQNN-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.95
Rot. Bonds6

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

6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 109123298) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
PubChem CID109123298
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C21H17F2N5O/c22-15-5-3-6-16(23)20(15)26-19-9-8-18(27-28-19)21(29)24-11-10-13-12-25-17-7-2-1-4-14(13)17/h1-9,12,25H,10-11H2,(H,24,29)(H,26,28)
InChIKeyWFVNUNHXHPLQNN-UHFFFAOYSA-N
XLogP3.95
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309683
N-[2-(1H-indol-3-yl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110236
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118016
N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118252
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215313
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352258
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372724
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide (CID 109123298) is 6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2c(F)cccc2F)nn1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is WFVNUNHXHPLQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c22-15-5-3-6-16(23)20(15)26-19-9-8-18(27-28-19)21(29)24-11-10-13-12-25-17-7-2-1-4-14(13)17/h1-9,12,25H,10-11H2,(H,24,29)(H,26,28).
What are the key properties of 6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide?
6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109123298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).