6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide

C19H15N5O — CID 109117831

IUPAC6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(NCc3ccccc3)nn2)c1
InChIInChI=1S/C19H15N5O/c20-12-15-7-4-8-16(11-15)22-19(25)17-9-10-18(24-23-17)21-13-14-5-2-1-3-6-14/h1-11H,13H2,(H,21,24)(H,22,25)
InChIKeyLBINOZKKCPKYTO-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.21
Rot. Bonds5

About 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide

6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide (PubChem CID 109117831) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
PubChem CID109117831
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(NCc3ccccc3)nn2)c1
InChIInChI=1S/C19H15N5O/c20-12-15-7-4-8-16(11-15)22-19(25)17-9-10-18(24-23-17)21-13-14-5-2-1-3-6-14/h1-11H,13H2,(H,21,24)(H,22,25)
InChIKeyLBINOZKKCPKYTO-UHFFFAOYSA-N
XLogP3.21
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124566
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200693
N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122382
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350268
6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109117824
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
N-(3-cyanophenyl)-6-cyclopropylpyridazine-3-carboxamide
CID 113200314

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide (CID 109117831) is 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide is N#Cc1cccc(NC(=O)c2ccc(NCc3ccccc3)nn2)c1.
What is the InChIKey of 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
The InChIKey is LBINOZKKCPKYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-12-15-7-4-8-16(11-15)22-19(25)17-9-10-18(24-23-17)21-13-14-5-2-1-3-6-14/h1-11H,13H2,(H,21,24)(H,22,25).
What are the key properties of 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).