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

C20H20N4O2 — CID 113046648

IUPACN-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)c2cccc(OC)c2)nn1
InChIInChI=1S/C20H20N4O2/c1-3-14-7-4-5-10-17(14)21-18-11-12-19(24-23-18)22-20(25)15-8-6-9-16(13-15)26-2/h4-13H,3H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyNPXLZZSNFAGHIZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.04
Rot. Bonds6

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

N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide (PubChem CID 113046648) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
PubChem CID113046648
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)c2cccc(OC)c2)nn1
InChIInChI=1S/C20H20N4O2/c1-3-14-7-4-5-10-17(14)21-18-11-12-19(24-23-18)22-20(25)15-8-6-9-16(13-15)26-2/h4-13H,3H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyNPXLZZSNFAGHIZ-UHFFFAOYSA-N
XLogP4.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113047158
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051480
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032412
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032411
N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113050053

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide (CID 113046648) is N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide is CCc1ccccc1Nc1ccc(NC(=O)c2cccc(OC)c2)nn1.
What is the InChIKey of N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide?
The InChIKey is NPXLZZSNFAGHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-14-7-4-5-10-17(14)21-18-11-12-19(24-23-18)22-20(25)15-8-6-9-16(13-15)26-2/h4-13H,3H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide?
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide has a molecular weight of 348.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 113046648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).