tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate

C15H22FN3O3 — CID 162439842

IUPACtert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(NC(=O)OC(C)(C)C)c(F)cn1
InChIInChI=1S/C15H22FN3O3/c1-10-9-21-6-5-19(10)13-7-12(11(16)8-17-13)18-14(20)22-15(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,17,18,20)/t10-/m1/s1
InChIKeyLTPMBXFTDSHZGY-SNVBAGLBSA-N
MW311.36 g/mol
LogP2.79
Rot. Bonds2

About tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate

tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate (PubChem CID 162439842) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate
PubChem CID162439842
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC Nametert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate
SMILESC[C@@H]1COCCN1c1cc(NC(=O)OC(C)(C)C)c(F)cn1
InChIInChI=1S/C15H22FN3O3/c1-10-9-21-6-5-19(10)13-7-12(11(16)8-17-13)18-14(20)22-15(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,17,18,20)/t10-/m1/s1
InChIKeyLTPMBXFTDSHZGY-SNVBAGLBSA-N
XLogP2.79
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate
CID 172716585
tert-butyl N-[8-bromo-6-[(3S)-3-methylmorpholin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 178009170
[6-(3-methylmorpholin-4-yl)-3-pyridinyl]urea
CID 118333092
tert-butyl N-[5-fluoro-2-(1-methylcyclopropyl)oxy-4-pyridinyl]carbamate
CID 162439934
CID 143741789
CID 143741789
6-[(3S)-3-methylmorpholin-4-yl]-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-3,4-diamine
CID 118067791
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925543
methyl 1-(2-amino-3,3,3-trifluoropropyl)-3-[(3R)-3-methylmorpholin-4-yl]pyrazole-5-carboxylate
CID 163276638
tert-butyl N-[(1R)-1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]ethyl]carbamate
CID 139516361
tert-butyl N-[5-chloro-2-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-4-pyridinyl]carbamate
CID 139405197
tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate
CID 164532532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate (CID 162439842) is tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate is C[C@@H]1COCCN1c1cc(NC(=O)OC(C)(C)C)c(F)cn1.
What is the InChIKey of tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate?
The InChIKey is LTPMBXFTDSHZGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-10-9-21-6-5-19(10)13-7-12(11(16)8-17-13)18-14(20)22-15(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,17,18,20)/t10-/m1/s1.
What are the key properties of tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate?
tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate has a molecular weight of 311.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate is sourced from PubChem (CID 162439842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).