N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide

C19H18N4O2 — CID 109117932

IUPACN-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCc3ccccc3)nn2)c1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-5-8-15(12-16)21-18-11-10-17(22-23-18)19(24)20-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyNTOJVZSDBMZBAS-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.16
Rot. Bonds6

About N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide

N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide (PubChem CID 109117932) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
PubChem CID109117932
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCc3ccccc3)nn2)c1
InChIInChI=1S/C19H18N4O2/c1-25-16-9-5-8-15(12-16)21-18-11-10-17(22-23-18)19(24)20-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyNTOJVZSDBMZBAS-UHFFFAOYSA-N
XLogP3.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109119766
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120300
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109119926
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122427
6-(4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122416
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide (CID 109117932) is N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide is COc1cccc(Nc2ccc(C(=O)NCc3ccccc3)nn2)c1.
What is the InChIKey of N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide?
The InChIKey is NTOJVZSDBMZBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-16-9-5-8-15(12-16)21-18-11-10-17(22-23-18)19(24)20-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide?
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109117932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).