N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide

C19H17ClN4O — CID 109117925

IUPACN-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCc3ccccc3)nn2)cc1Cl
InChIInChI=1S/C19H17ClN4O/c1-13-7-8-15(11-16(13)20)22-18-10-9-17(23-24-18)19(25)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyQZHIVPGPCZNTIW-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.11
Rot. Bonds5

About N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide

N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide (PubChem CID 109117925) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
PubChem CID109117925
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCc3ccccc3)nn2)cc1Cl
InChIInChI=1S/C19H17ClN4O/c1-13-7-8-15(11-16(13)20)22-18-10-9-17(23-24-18)19(25)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyQZHIVPGPCZNTIW-UHFFFAOYSA-N
XLogP4.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923
N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109117975
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
methyl 2-[[6-(3-chloro-4-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128960
6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115731
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350063

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide (CID 109117925) is N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCc3ccccc3)nn2)cc1Cl.
What is the InChIKey of N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide?
The InChIKey is QZHIVPGPCZNTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-7-8-15(11-16(13)20)22-18-10-9-17(23-24-18)19(25)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide?
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109117925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).