N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide

C20H19ClN4O2 — CID 109119122

IUPACN-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)N(C)Cc2ccccc2)nn1
InChIInChI=1S/C20H19ClN4O2/c1-25(13-14-6-4-3-5-7-14)20(26)16-9-11-19(24-23-16)22-17-12-15(21)8-10-18(17)27-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyXLEOADABJXUHSA-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.15
Rot. Bonds6

About N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide

N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide (PubChem CID 109119122) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
PubChem CID109119122
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)N(C)Cc2ccccc2)nn1
InChIInChI=1S/C20H19ClN4O2/c1-25(13-14-6-4-3-5-7-14)20(26)16-9-11-19(24-23-16)22-17-12-15(21)8-10-18(17)27-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyXLEOADABJXUHSA-UHFFFAOYSA-N
XLogP4.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
CID 109120619
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109347963
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 109119063
N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109119135
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109125715
N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide (CID 109119122) is N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide is COc1ccc(Cl)cc1Nc1ccc(C(=O)N(C)Cc2ccccc2)nn1.
What is the InChIKey of N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide?
The InChIKey is XLEOADABJXUHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-25(13-14-6-4-3-5-7-14)20(26)16-9-11-19(24-23-16)22-17-12-15(21)8-10-18(17)27-2/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide?
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109119122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).