N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide

C18H15ClN4O2 — CID 113047536

IUPACN-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H15ClN4O2/c1-25-15-5-3-2-4-14(15)18(24)21-17-11-10-16(22-23-17)20-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyJJTOMDFORPUDPZ-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.13
Rot. Bonds5

About N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide (PubChem CID 113047536) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
PubChem CID113047536
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H15ClN4O2/c1-25-15-5-3-2-4-14(15)18(24)21-17-11-10-16(22-23-17)20-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyJJTOMDFORPUDPZ-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,5-dichloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113050853
2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
CID 113047552
methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049413
N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide
CID 113043306
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
CID 113048288
2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046921
2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048928
2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113033766
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide (CID 113047536) is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide?
The InChIKey is JJTOMDFORPUDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-15-5-3-2-4-14(15)18(24)21-17-11-10-16(22-23-17)20-13-8-6-12(19)7-9-13/h2-11H,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide?
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide has a molecular weight of 354.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 113047536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).