N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide

C19H17ClN4O2 — CID 109119926

IUPACN-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-8-6-15(7-9-16)22-18-11-10-17(23-24-18)19(25)21-12-13-2-4-14(20)5-3-13/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeySXJLJNSTWKYBML-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.81
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide (PubChem CID 109119926) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
PubChem CID109119926
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-8-6-15(7-9-16)22-18-11-10-17(23-24-18)19(25)21-12-13-2-4-14(20)5-3-13/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeySXJLJNSTWKYBML-UHFFFAOYSA-N
XLogP3.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120300
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118657
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379
6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121155
N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109119955
N-(2,5-dichlorophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129367
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109128741
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide (CID 109119926) is N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide?
The InChIKey is SXJLJNSTWKYBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-16-8-6-15(7-9-16)22-18-11-10-17(23-24-18)19(25)21-12-13-2-4-14(20)5-3-13/h2-11H,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109119926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).