6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide

C19H17ClN4O2 — CID 109120311

IUPAC6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-7-5-13(6-8-16)12-21-19(25)17-9-10-18(24-23-17)22-15-4-2-3-14(20)11-15/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyTWRDHHVNMITJGU-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.81
Rot. Bonds6

About 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide

6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109120311) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109120311
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Nc3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-7-5-13(6-8-16)12-21-19(25)17-9-10-18(24-23-17)22-15-4-2-3-14(20)11-15/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyTWRDHHVNMITJGU-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

N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109119926
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120300
2-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329352
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10047143
N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109119766
6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122555
6-(3-chloroanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125292
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128702
2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
N-(3-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120235

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide (CID 109120311) is 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(Nc3cccc(Cl)c3)nn2)cc1.
What is the InChIKey of 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is TWRDHHVNMITJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-16-7-5-13(6-8-16)12-21-19(25)17-9-10-18(24-23-17)22-15-4-2-3-14(20)11-15/h2-11H,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide?
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]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 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109120311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).