5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide

C15H14BrN7O — CID 122292729

IUPAC5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1ccc(-n2cccn2)nn1)c1cncc(Br)c1
InChIInChI=1S/C15H14BrN7O/c16-12-8-11(9-17-10-12)15(24)19-6-5-18-13-2-3-14(22-21-13)23-7-1-4-20-23/h1-4,7-10H,5-6H2,(H,18,21)(H,19,24)
InChIKeyMNJSCLFFEHSFAO-UHFFFAOYSA-N
MW388.23 g/mol
LogP1.66
Rot. Bonds6

About 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide

5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 122292729) has the molecular formula C15H14BrN7O and a molecular weight of 388.23 g/mol. Its IUPAC name is 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID122292729
Molecular FormulaC15H14BrN7O
Molecular Weight388.23 g/mol
Exact Mass387.04
IUPAC Name5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1ccc(-n2cccn2)nn1)c1cncc(Br)c1
InChIInChI=1S/C15H14BrN7O/c16-12-8-11(9-17-10-12)15(24)19-6-5-18-13-2-3-14(22-21-13)23-7-1-4-20-23/h1-4,7-10H,5-6H2,(H,18,21)(H,19,24)
InChIKeyMNJSCLFFEHSFAO-UHFFFAOYSA-N
XLogP1.66
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 51.66
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-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122289847
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 16654523
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307300
N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 16654512
4-bromo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307616
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122292682
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide (CID 122292729) is 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNc1ccc(-n2cccn2)nn1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is MNJSCLFFEHSFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN7O/c16-12-8-11(9-17-10-12)15(24)19-6-5-18-13-2-3-14(22-21-13)23-7-1-4-20-23/h1-4,7-10H,5-6H2,(H,18,21)(H,19,24).
What are the key properties of 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 388.23 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 122292729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).