N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide

C19H14ClN5O — CID 109128993

IUPACN-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Nc3cccc(C#N)c3)nn2)cc1Cl
InChIInChI=1S/C19H14ClN5O/c1-12-5-6-15(10-16(12)20)23-19(26)17-7-8-18(25-24-17)22-14-4-2-3-13(9-14)11-21/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyKBJVTGGYHRKRLJ-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.31
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide

N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide (PubChem CID 109128993) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
PubChem CID109128993
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Nc3cccc(C#N)c3)nn2)cc1Cl
InChIInChI=1S/C19H14ClN5O/c1-12-5-6-15(10-16(12)20)23-19(26)17-7-8-18(25-24-17)22-14-4-2-3-13(9-14)11-21/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyKBJVTGGYHRKRLJ-UHFFFAOYSA-N
XLogP4.31
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109127539
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128178
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
methyl 2-[[6-(3-chloro-4-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128960

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide (CID 109128993) is N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(Nc3cccc(C#N)c3)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide?
The InChIKey is KBJVTGGYHRKRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-5-6-15(10-16(12)20)23-19(26)17-7-8-18(25-24-17)22-14-4-2-3-13(9-14)11-21/h2-10H,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).