N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide

C20H27N5O2 — CID 122321432

IUPACN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C20H27N5O2/c26-20(8-4-7-17-5-2-1-3-6-17)22-10-9-21-19-15-18(16-23-24-19)25-11-13-27-14-12-25/h1-3,5-6,15-16H,4,7-14H2,(H,21,24)(H,22,26)
InChIKeyWLXASTCKAGDXFI-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.86
Rot. Bonds9

About N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide

N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide (PubChem CID 122321432) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
PubChem CID122321432
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C20H27N5O2/c26-20(8-4-7-17-5-2-1-3-6-17)22-10-9-21-19-15-18(16-23-24-19)25-11-13-27-14-12-25/h1-3,5-6,15-16H,4,7-14H2,(H,21,24)(H,22,26)
InChIKeyWLXASTCKAGDXFI-UHFFFAOYSA-N
XLogP1.86
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenoxy)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321557
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122321653
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321685
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]cyclobutanecarboxamide
CID 122321586
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 122321620
N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide
CID 122321055
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-6-oxopyran-3-carboxamide
CID 122321526
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide
CID 122321549
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122321690
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbenzenesulfonamide
CID 122321493

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide (CID 122321432) is N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCCNc1cc(N2CCOCC2)cnn1.
What is the InChIKey of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide?
The InChIKey is WLXASTCKAGDXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20(8-4-7-17-5-2-1-3-6-17)22-10-9-21-19-15-18(16-23-24-19)25-11-13-27-14-12-25/h1-3,5-6,15-16H,4,7-14H2,(H,21,24)(H,22,26).
What are the key properties of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide?
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide has a molecular weight of 369.47 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide is sourced from PubChem (CID 122321432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).