tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C22H32N2O4 — CID 171506353

IUPACtert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC1(c2nccc(C)c2C2=C[C@@H](C)N(C(=O)OC(C)(C)C)CC2)CCOC1
InChIInChI=1S/C22H32N2O4/c1-15-7-10-23-19(22(26-6)9-12-27-14-22)18(15)17-8-11-24(16(2)13-17)20(25)28-21(3,4)5/h7,10,13,16H,8-9,11-12,14H2,1-6H3/t16-,22?/m1/s1
InChIKeyFTYVRKKHCALCHC-XESZBRCGSA-N
MW388.51 g/mol
LogP4.06
Rot. Bonds3

About tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 171506353) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID171506353
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Nametert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC1(c2nccc(C)c2C2=C[C@@H](C)N(C(=O)OC(C)(C)C)CC2)CCOC1
InChIInChI=1S/C22H32N2O4/c1-15-7-10-23-19(22(26-6)9-12-27-14-22)18(15)17-8-11-24(16(2)13-17)20(25)28-21(3,4)5/h7,10,13,16H,8-9,11-12,14H2,1-6H3/t16-,22?/m1/s1
InChIKeyFTYVRKKHCALCHC-XESZBRCGSA-N
XLogP4.06
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-(3-methoxyoxetan-3-yl)-4-methyl-3-pyridinyl]-2-oxopiperidine-1-carboxylate
CID 171506595
tert-butyl 4-(4-fluoro-1,3-benzothiazol-2-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 22595871
tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate
CID 123997862
tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate
CID 166160542
tert-butyl (3S,5R)-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 122450843
tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
CID 172992700
tert-butyl 1,5-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 149428557
tert-butyl (2S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (6S)-4-(6-amino-4-methylpyridazin-3-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (6S)-6-methyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 165105767
tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate
CID 103554531
tert-butyl 8-hydroxy-1-(1,3-oxazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 172750343
tert-butyl 2-[[(3-methyloxolan-3-yl)amino]methyl]piperidine-1-carboxylate
CID 106634410
tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249731

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 171506353) is tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is COC1(c2nccc(C)c2C2=C[C@@H](C)N(C(=O)OC(C)(C)C)CC2)CCOC1.
What is the InChIKey of tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is FTYVRKKHCALCHC-XESZBRCGSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-15-7-10-23-19(22(26-6)9-12-27-14-22)18(15)17-8-11-24(16(2)13-17)20(25)28-21(3,4)5/h7,10,13,16H,8-9,11-12,14H2,1-6H3/t16-,22?/m1/s1.
What are the key properties of tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R)-4-[2-(3-methoxyoxolan-3-yl)-4-methyl-3-pyridinyl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 171506353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).