ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate

C18H25N3O3 — CID 167823796

IUPACethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC(NC3COC4(CCC4)C3)C2)nc1
InChIInChI=1S/C18H25N3O3/c1-2-23-17(22)13-4-5-16(19-9-13)21-10-15(11-21)20-14-8-18(24-12-14)6-3-7-18/h4-5,9,14-15,20H,2-3,6-8,10-12H2,1H3
InChIKeyIOLIMAQFCDWAAY-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.75
Rot. Bonds5

About ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate

ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate (PubChem CID 167823796) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate
PubChem CID167823796
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nameethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC(NC3COC4(CCC4)C3)C2)nc1
InChIInChI=1S/C18H25N3O3/c1-2-23-17(22)13-4-5-16(19-9-13)21-10-15(11-21)20-14-8-18(24-12-14)6-3-7-18/h4-5,9,14-15,20H,2-3,6-8,10-12H2,1H3
InChIKeyIOLIMAQFCDWAAY-UHFFFAOYSA-N
XLogP1.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate
CID 36834270
4-[[[1-(5-ethoxycarbonyl-2-pyridinyl)azetidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 122009646
3-[[1-(5-ethoxycarbonyl-2-pyridinyl)azetidin-3-yl]carbamoyl-methylamino]propanoic acid
CID 122009647
ethyl 6-[3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]azetidin-1-yl]pyridine-3-carboxylate;hydroiodide
CID 120972080
3-[[1-(5-ethoxycarbonyl-2-pyridinyl)azetidin-3-yl]carbamoylamino]propanoic acid
CID 122009643
ethyl 4-(1-oxaspiro[4.4]nonan-3-ylcarbamoylamino)benzoate
CID 72940176
ethyl 6-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-3-carboxylate
CID 43599506
ethyl 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-3-carboxylate
CID 102683581
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
CID 78946431

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate (CID 167823796) is ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CC(NC3COC4(CCC4)C3)C2)nc1.
What is the InChIKey of ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate?
The InChIKey is IOLIMAQFCDWAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-23-17(22)13-4-5-16(19-9-13)21-10-15(11-21)20-14-8-18(24-12-14)6-3-7-18/h4-5,9,14-15,20H,2-3,6-8,10-12H2,1H3.
What are the key properties of ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate?
ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(5-oxaspiro[3.4]octan-7-ylamino)azetidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 167823796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).