tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate

C18H24FN3O4 — CID 170316001

IUPACtert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COc2cnc(C(=O)NC3CC3)c(F)c2)C1
InChIInChI=1S/C18H24FN3O4/c1-18(2,3)26-17(24)22-8-11(9-22)10-25-13-6-14(19)15(20-7-13)16(23)21-12-4-5-12/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKeyLJHJJTMWLTWBBY-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.36
Rot. Bonds5

About tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate

tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate (PubChem CID 170316001) has the molecular formula C18H24FN3O4 and a molecular weight of 365.41 g/mol. Its IUPAC name is tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
PubChem CID170316001
Molecular FormulaC18H24FN3O4
Molecular Weight365.41 g/mol
Exact Mass365.18
IUPAC Nametert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COc2cnc(C(=O)NC3CC3)c(F)c2)C1
InChIInChI=1S/C18H24FN3O4/c1-18(2,3)26-17(24)22-8-11(9-22)10-25-13-6-14(19)15(20-7-13)16(23)21-12-4-5-12/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKeyLJHJJTMWLTWBBY-UHFFFAOYSA-N
XLogP2.36
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(4-bromo-3,5-difluorophenoxy)methyl]azetidine-1-carboxylate
CID 142712797
3-fluoro-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypyridine-2-carboxylic acid
CID 170311145
tert-butyl 3-[(3,5-dichlorophenoxy)methyl]azetidine-1-carboxylate
CID 139271451
tert-butyl 3-[(3,4-dichlorophenoxy)methyl]azetidine-1-carboxylate
CID 139271449
tert-butyl 3-[(4-amino-2-bromo-6-fluorophenoxy)methyl]azetidine-1-carboxylate
CID 138985880
tert-butyl 3-[(3-amino-5-bromophenoxy)methyl]azetidine-1-carboxylate
CID 166594011
tert-butyl 3-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 24902735
tert-butyl 3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)azetidine-1-carboxylate
CID 134226495
tert-butyl 4-[(4-amino-3-fluorophenoxy)methyl]piperidine-1-carboxylate
CID 164576765
tert-butyl 3-[(2-amino-6-fluorophenoxy)methyl]azetidine-1-carboxylate
CID 155289011
tert-butyl 3-[(3-bromo-4-methoxyphenoxy)methyl]azetidine-1-carboxylate
CID 155798187
tert-butyl (3S)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;sulfane
CID 157158385

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate (CID 170316001) is tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(COc2cnc(C(=O)NC3CC3)c(F)c2)C1.
What is the InChIKey of tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The InChIKey is LJHJJTMWLTWBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O4/c1-18(2,3)26-17(24)22-8-11(9-22)10-25-13-6-14(19)15(20-7-13)16(23)21-12-4-5-12/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate has a molecular weight of 365.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(cyclopropylcarbamoyl)-5-fluoro-3-pyridinyl]oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 170316001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).