methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate

C15H19N3O5 — CID 3446587

IUPACmethyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
SMILESCCOCC(=O)N1CCCN1C(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C15H19N3O5/c1-3-23-10-13(19)17-7-4-8-18(17)14(20)12-6-5-11(9-16-12)15(21)22-2/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyVSICMAYJDBMZDB-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.49
Rot. Bonds5

About methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate

methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 3446587) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
PubChem CID3446587
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Namemethyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
SMILESCCOCC(=O)N1CCCN1C(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C15H19N3O5/c1-3-23-10-13(19)17-7-4-8-18(17)14(20)12-6-5-11(9-16-12)15(21)22-2/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyVSICMAYJDBMZDB-UHFFFAOYSA-N
XLogP0.49
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[2-(2-cyanoacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3791112
methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3777676
methyl 6-[2-[2-(5-bromo-3-pyridinyl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3814607
methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3604391
methyl 6-[2-(2-methylpropylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3545228
methyl 6-[2-[2-([1,2,4]triazolo[3,4-c][1,2,4]benzotriazin-1-ylsulfanyl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 23965656
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
methyl 6-[2-(3-methyl-2-methylsulfanyl-4-oxoquinazoline-7-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3854135
methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate
CID 166150412
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
ethyl (3R)-4-(5-methoxycarbonylpyridine-2-carbonyl)thiomorpholine-3-carboxylate
CID 51934224

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate (CID 3446587) is methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate is CCOCC(=O)N1CCCN1C(=O)c1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is VSICMAYJDBMZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-3-23-10-13(19)17-7-4-8-18(17)14(20)12-6-5-11(9-16-12)15(21)22-2/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 3446587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).