6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide

C19H14ClN5O — CID 109128825

IUPAC6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccc(C(=O)Nc2cccc(C#N)c2)nn1
InChIInChI=1S/C19H14ClN5O/c1-12-15(20)6-3-7-16(12)23-18-9-8-17(24-25-18)19(26)22-14-5-2-4-13(10-14)11-21/h2-10H,1H3,(H,22,26)(H,23,25)
InChIKeyCVGUMLJIWSNIPY-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.31
Rot. Bonds4

About 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide

6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide (PubChem CID 109128825) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
PubChem CID109128825
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
SMILESCc1c(Cl)cccc1Nc1ccc(C(=O)Nc2cccc(C#N)c2)nn1
InChIInChI=1S/C19H14ClN5O/c1-12-15(20)6-3-7-16(12)23-18-9-8-17(24-25-18)19(26)22-14-5-2-4-13(10-14)11-21/h2-10H,1H3,(H,22,26)(H,23,25)
InChIKeyCVGUMLJIWSNIPY-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-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109127539
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128178
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128821
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide (CID 109128825) is 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide is Cc1c(Cl)cccc1Nc1ccc(C(=O)Nc2cccc(C#N)c2)nn1.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
The InChIKey is CVGUMLJIWSNIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-15(20)6-3-7-16(12)23-18-9-8-17(24-25-18)19(26)22-14-5-2-4-13(10-14)11-21/h2-10H,1H3,(H,22,26)(H,23,25).
What are the key properties of 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide?
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)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 6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).