2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate

C18H16N4O2 — CID 71973719

IUPAC2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate
SMILESO=C(OCCNc1ccc(-c2ccccc2)nn1)c1ccncc1
InChIInChI=1S/C18H16N4O2/c23-18(15-8-10-19-11-9-15)24-13-12-20-17-7-6-16(21-22-17)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,22)
InChIKeyLVNNTAIJVZXPMP-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.81
Rot. Bonds6

About 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate

2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate (PubChem CID 71973719) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate.

Molecular Properties

Compound Name2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate
PubChem CID71973719
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate
SMILESO=C(OCCNc1ccc(-c2ccccc2)nn1)c1ccncc1
InChIInChI=1S/C18H16N4O2/c23-18(15-8-10-19-11-9-15)24-13-12-20-17-7-6-16(21-22-17)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,22)
InChIKeyLVNNTAIJVZXPMP-UHFFFAOYSA-N
XLogP2.81
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-phenylpyridazin-3-yl)amino]ethyl 1,3-thiazole-4-carboxylate
CID 71973721
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate
CID 108773574
2-(tert-butylamino)ethyl pyridine-4-carboxylate
CID 130375151
methyl 2-[(6-pyridin-4-ylpyridazin-3-yl)amino]acetate
CID 116971994
N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine
CID 116970489
2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine
CID 116970880
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate
CID 3483038
2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate
CID 71973059
4-hydroxybutyl pyridine-4-carboxylate
CID 126720845

Frequently Asked Questions

What is the IUPAC name of 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate?
The IUPAC name of 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate (CID 71973719) is 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate.
What is the SMILES notation for 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate?
The canonical SMILES for 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate is O=C(OCCNc1ccc(-c2ccccc2)nn1)c1ccncc1.
What is the InChIKey of 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate?
The InChIKey is LVNNTAIJVZXPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18(15-8-10-19-11-9-15)24-13-12-20-17-7-6-16(21-22-17)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,22).
What are the key properties of 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate?
2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate is sourced from PubChem (CID 71973719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).