6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide

C18H20N6O2 — CID 109115775

IUPAC6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)NCCN3CCOCC3)nn2)c1
InChIInChI=1S/C18H20N6O2/c19-13-14-2-1-3-15(12-14)21-17-5-4-16(22-23-17)18(25)20-6-7-24-8-10-26-11-9-24/h1-5,12H,6-11H2,(H,20,25)(H,21,23)
InChIKeyXVNJSIMRMBECID-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.15
Rot. Bonds6

About 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide

6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide (PubChem CID 109115775) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
PubChem CID109115775
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)NCCN3CCOCC3)nn2)c1
InChIInChI=1S/C18H20N6O2/c19-13-14-2-1-3-15(12-14)21-17-5-4-16(22-23-17)18(25)20-6-7-24-8-10-26-11-9-24/h1-5,12H,6-11H2,(H,20,25)(H,21,23)
InChIKeyXVNJSIMRMBECID-UHFFFAOYSA-N
XLogP1.15
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115731
6-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115771
N-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115507
6-(2-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115723
6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122198
5-(4-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277590
6-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096501
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115651
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
6-(3-chloroanilino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366518

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide (CID 109115775) is 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide is N#Cc1cccc(Nc2ccc(C(=O)NCCN3CCOCC3)nn2)c1.
What is the InChIKey of 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The InChIKey is XVNJSIMRMBECID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c19-13-14-2-1-3-15(12-14)21-17-5-4-16(22-23-17)18(25)20-6-7-24-8-10-26-11-9-24/h1-5,12H,6-11H2,(H,20,25)(H,21,23).
What are the key properties of 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109115775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).