2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide

C20H27N5O2 — CID 113049816

IUPAC2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccccc2N2CCOCC2)nn1
InChIInChI=1S/C20H27N5O2/c1-3-15(4-2)20(26)22-19-10-9-18(23-24-19)21-16-7-5-6-8-17(16)25-11-13-27-14-12-25/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,23)(H,22,24,26)
InChIKeyJMJGKBFXBNEVRY-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.43
Rot. Bonds7

About 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide

2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide (PubChem CID 113049816) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide
PubChem CID113049816
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccccc2N2CCOCC2)nn1
InChIInChI=1S/C20H27N5O2/c1-3-15(4-2)20(26)22-19-10-9-18(23-24-19)21-16-7-5-6-8-17(16)25-11-13-27-14-12-25/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,23)(H,22,24,26)
InChIKeyJMJGKBFXBNEVRY-UHFFFAOYSA-N
XLogP3.43
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
6-(2-morpholin-4-ylanilino)-N-propylpyridazine-3-carboxamide
CID 109109357
N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide
CID 109127275
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-ethylbutanamide
CID 113047354
1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
CID 113049830
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109152097
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109126611
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]butanamide
CID 113035731
N-cyclopentyl-6-(2-morpholin-4-ylanilino)pyridazine-3-carboxamide
CID 109112411
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide (CID 113049816) is 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide is CCC(CC)C(=O)Nc1ccc(Nc2ccccc2N2CCOCC2)nn1.
What is the InChIKey of 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide?
The InChIKey is JMJGKBFXBNEVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-15(4-2)20(26)22-19-10-9-18(23-24-19)21-16-7-5-6-8-17(16)25-11-13-27-14-12-25/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,23)(H,22,24,26).
What are the key properties of 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide?
2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide has a molecular weight of 369.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113049816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).