2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide

C19H26N4O4 — CID 113050576

IUPAC2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C19H26N4O4/c1-6-12(7-2)19(24)21-17-9-8-16(22-23-17)20-13-10-14(25-3)18(27-5)15(11-13)26-4/h8-12H,6-7H2,1-5H3,(H,20,22)(H,21,23,24)
InChIKeyVBRPFBCIMVBNRC-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.62
Rot. Bonds9

About 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide

2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide (PubChem CID 113050576) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide
PubChem CID113050576
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C19H26N4O4/c1-6-12(7-2)19(24)21-17-9-8-16(22-23-17)20-13-10-14(25-3)18(27-5)15(11-13)26-4/h8-12H,6-7H2,1-5H3,(H,20,22)(H,21,23,24)
InChIKeyVBRPFBCIMVBNRC-UHFFFAOYSA-N
XLogP3.62
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284
methyl 4-[[6-(2-ethylbutanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049466
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide
CID 113043351
N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050598
2-ethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]butanamide
CID 113051710
2-ethyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]butanamide
CID 113039400
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
CID 113036500
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide
CID 113047354
2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide
CID 113051469
N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
3-(2-ethylbutanoylamino)-4,5-dimethoxybenzoic acid
CID 120606615

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide (CID 113050576) is 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide is CCC(CC)C(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)nn1.
What is the InChIKey of 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide?
The InChIKey is VBRPFBCIMVBNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-6-12(7-2)19(24)21-17-9-8-16(22-23-17)20-13-10-14(25-3)18(27-5)15(11-13)26-4/h8-12H,6-7H2,1-5H3,(H,20,22)(H,21,23,24).
What are the key properties of 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide?
2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide has a molecular weight of 374.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113050576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).