5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide

C16H19FN6O2 — CID 122321690

IUPAC5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cc(N2CCOCC2)cnn1)c1cncc(F)c1
InChIInChI=1S/C16H19FN6O2/c17-13-7-12(9-18-10-13)16(24)20-2-1-19-15-8-14(11-21-22-15)23-3-5-25-6-4-23/h7-11H,1-6H2,(H,19,22)(H,20,24)
InChIKeyJJGUUQUWTCJJOM-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.69
Rot. Bonds6

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

5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 122321690) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID122321690
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cc(N2CCOCC2)cnn1)c1cncc(F)c1
InChIInChI=1S/C16H19FN6O2/c17-13-7-12(9-18-10-13)16(24)20-2-1-19-15-8-14(11-21-22-15)23-3-5-25-6-4-23/h7-11H,1-6H2,(H,19,22)(H,20,24)
InChIKeyJJGUUQUWTCJJOM-UHFFFAOYSA-N
XLogP0.69
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-6-oxopyran-3-carboxamide
CID 122321526
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-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122321653
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide
CID 122321549
1-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122321521
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
2,4,5-trifluoro-3-methoxy-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321243
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
CID 122321432
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122321030

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide (CID 122321690) is 5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNc1cc(N2CCOCC2)cnn1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is JJGUUQUWTCJJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O2/c17-13-7-12(9-18-10-13)16(24)20-2-1-19-15-8-14(11-21-22-15)23-3-5-25-6-4-23/h7-11H,1-6H2,(H,19,22)(H,20,24).
What are the key properties of 5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 122321690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).