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

C18H16N4O2 — CID 108773574

IUPACethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C18H16N4O2/c1-2-24-18(23)14-10-11-19-17(12-14)20-16-9-8-15(21-22-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,19,20,22)
InChIKeyAGMUINOFHKXDOG-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.46
Rot. Bonds5

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

ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate (PubChem CID 108773574) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate
PubChem CID108773574
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Nameethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2ccc(-c3ccccc3)nn2)c1
InChIInChI=1S/C18H16N4O2/c1-2-24-18(23)14-10-11-19-17(12-14)20-16-9-8-15(21-22-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,19,20,22)
InChIKeyAGMUINOFHKXDOG-UHFFFAOYSA-N
XLogP3.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(6-phenylpyridazin-3-yl)amino]-1,3-benzothiazole-6-carboxylate
CID 108776058
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
CID 108773601
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
CID 108773587
ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755554
2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate
CID 71973719
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 2-phenylpyrazolo[1,5-a]pyridine-5-carboxylate
CID 46223052
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]pyridine-4-carboxylate
CID 108755491

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate (CID 108773574) is ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(Nc2ccc(-c3ccccc3)nn2)c1.
What is the InChIKey of ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate?
The InChIKey is AGMUINOFHKXDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-24-18(23)14-10-11-19-17(12-14)20-16-9-8-15(21-22-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,19,20,22).
What are the key properties of ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate?
ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 108773574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).