6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide

C20H16FN5O — CID 109122198

IUPAC6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)NCCc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C20H16FN5O/c21-16-6-4-14(5-7-16)10-11-23-20(27)18-8-9-19(26-25-18)24-17-3-1-2-15(12-17)13-22/h1-9,12H,10-11H2,(H,23,27)(H,24,26)
InChIKeyUEKBEWKISHCKJO-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.20
Rot. Bonds6

About 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide

6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109122198) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109122198
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)NCCc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C20H16FN5O/c21-16-6-4-14(5-7-16)10-11-23-20(27)18-8-9-19(26-25-18)24-17-3-1-2-15(12-17)13-22/h1-9,12H,10-11H2,(H,23,27)(H,24,26)
InChIKeyUEKBEWKISHCKJO-UHFFFAOYSA-N
XLogP3.20
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
2-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308543
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115775
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939
N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109122203
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (CID 109122198) is 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is N#Cc1cccc(Nc2ccc(C(=O)NCCc3ccc(F)cc3)nn2)c1.
What is the InChIKey of 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is UEKBEWKISHCKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-16-6-4-14(5-7-16)10-11-23-20(27)18-8-9-19(26-25-18)24-17-3-1-2-15(12-17)13-22/h1-9,12H,10-11H2,(H,23,27)(H,24,26).
What are the key properties of 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109122198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).