2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate

C16H18N4O4 — CID 47584978

IUPAC2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCCNC(=O)c2ccncc2)ccc1=O
InChIInChI=1S/C16H18N4O4/c1-2-10-20-14(21)4-3-13(19-20)16(23)24-11-9-18-15(22)12-5-7-17-8-6-12/h3-8H,2,9-11H2,1H3,(H,18,22)
InChIKeyUGJJYGTUCDOOJS-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.64
Rot. Bonds7

About 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate

2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 47584978) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID47584978
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCCNC(=O)c2ccncc2)ccc1=O
InChIInChI=1S/C16H18N4O4/c1-2-10-20-14(21)4-3-13(19-20)16(23)24-11-9-18-15(22)12-5-7-17-8-6-12/h3-8H,2,9-11H2,1H3,(H,18,22)
InChIKeyUGJJYGTUCDOOJS-UHFFFAOYSA-N
XLogP0.64
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 115699825
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18197054
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
CID 63913396
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
CID 55803508
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080248

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate (CID 47584978) is 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OCCNC(=O)c2ccncc2)ccc1=O.
What is the InChIKey of 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is UGJJYGTUCDOOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-2-10-20-14(21)4-3-13(19-20)16(23)24-11-9-18-15(22)12-5-7-17-8-6-12/h3-8H,2,9-11H2,1H3,(H,18,22).
What are the key properties of 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate?
2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonylamino)ethyl 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 47584978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).