N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide

C19H26N4O3 — CID 113043351

IUPACN-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCc2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C19H26N4O3/c1-5-14(6-2)19(24)21-18-10-9-17(22-23-18)20-12-13-7-8-15(25-3)16(11-13)26-4/h7-11,14H,5-6,12H2,1-4H3,(H,20,22)(H,21,23,24)
InChIKeyIBTSVSOPQDLZDU-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.48
Rot. Bonds9

About N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide

N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide (PubChem CID 113043351) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide
PubChem CID113043351
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCc2ccc(OC)c(OC)c2)nn1
InChIInChI=1S/C19H26N4O3/c1-5-14(6-2)19(24)21-18-10-9-17(22-23-18)20-12-13-7-8-15(25-3)16(11-13)26-4/h7-11,14H,5-6,12H2,1-4H3,(H,20,22)(H,21,23,24)
InChIKeyIBTSVSOPQDLZDU-UHFFFAOYSA-N
XLogP3.48
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
CID 113043387
2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide
CID 113050576
2-ethyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]butanamide
CID 113039400
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113043251
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 1086962
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-ethylbutanamide
CID 19341132
ethyl N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]carbamate
CID 113014023
2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
CID 113044637

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide?
The IUPAC name of N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide (CID 113043351) is N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide?
The canonical SMILES for N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(NCc2ccc(OC)c(OC)c2)nn1.
What is the InChIKey of N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide?
The InChIKey is IBTSVSOPQDLZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-14(6-2)19(24)21-18-10-9-17(22-23-18)20-12-13-7-8-15(25-3)16(11-13)26-4/h7-11,14H,5-6,12H2,1-4H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide?
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide has a molecular weight of 358.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide is sourced from PubChem (CID 113043351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).