N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide

C18H12BrN5O — CID 109130131

IUPACN-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)Nc3ccccc3Br)nn2)c1
InChIInChI=1S/C18H12BrN5O/c19-14-6-1-2-7-15(14)22-18(25)16-8-9-17(24-23-16)21-13-5-3-4-12(10-13)11-20/h1-10H,(H,21,24)(H,22,25)
InChIKeyCLJIQGPWQWCTLW-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.11
Rot. Bonds4

About N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide

N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide (PubChem CID 109130131) has the molecular formula C18H12BrN5O and a molecular weight of 394.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
PubChem CID109130131
Molecular FormulaC18H12BrN5O
Molecular Weight394.23 g/mol
Exact Mass393.02
IUPAC NameN-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
SMILESN#Cc1cccc(Nc2ccc(C(=O)Nc3ccccc3Br)nn2)c1
InChIInChI=1S/C18H12BrN5O/c19-14-6-1-2-7-15(14)22-18(25)16-8-9-17(24-23-16)21-13-5-3-4-12(10-13)11-20/h1-10H,(H,21,24)(H,22,25)
InChIKeyCLJIQGPWQWCTLW-UHFFFAOYSA-N
XLogP4.11
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130088
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
CID 109164780
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 109130126
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128178
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide (CID 109130131) is N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide is N#Cc1cccc(Nc2ccc(C(=O)Nc3ccccc3Br)nn2)c1.
What is the InChIKey of N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide?
The InChIKey is CLJIQGPWQWCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5O/c19-14-6-1-2-7-15(14)22-18(25)16-8-9-17(24-23-16)21-13-5-3-4-12(10-13)11-20/h1-10H,(H,21,24)(H,22,25).
What are the key properties of N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide?
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109130131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).