methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate

C16H21N3O4 — CID 155912463

IUPACmethyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)n1
InChIInChI=1S/C16H21N3O4/c1-18-13-8-19(6-11(15(18)20)9-23-10-13)7-12-4-3-5-14(17-12)16(21)22-2/h3-5,11,13H,6-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyFRMSFQVJYATHTB-YPMHNXCESA-N
MW319.36 g/mol
LogP0.16
Rot. Bonds3

About methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate

methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate (PubChem CID 155912463) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate
PubChem CID155912463
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Namemethyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)n1
InChIInChI=1S/C16H21N3O4/c1-18-13-8-19(6-11(15(18)20)9-23-10-13)7-12-4-3-5-14(17-12)16(21)22-2/h3-5,11,13H,6-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyFRMSFQVJYATHTB-YPMHNXCESA-N
XLogP0.16
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905151
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905061
(1S,5R)-7-(6-aminopyridine-2-carbonyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155910844
methyl 6-[[(1S,18R)-14-[(6-methoxycarbonyl-2-pyridinyl)methyl]-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.3.0]henicosan-5-yl]methyl]pyridine-2-carboxylate
CID 155283747
methyl 6-[[(2R)-2-(hydroxymethyl)-16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate
CID 155283748
formic acid;(1S,5R)-7-(furan-3-ylmethyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 154916899
methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
CID 106905132
(1S,5R)-7-[(2,6-difluoro-4-methoxyphenyl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135110081
formic acid;(1S,5R)-9-methyl-7-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 163337963

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate (CID 155912463) is methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2C[C@@H]3COC[C@H](C2)N(C)C3=O)n1.
What is the InChIKey of methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate?
The InChIKey is FRMSFQVJYATHTB-YPMHNXCESA-N. The full InChI is InChI=1S/C16H21N3O4/c1-18-13-8-19(6-11(15(18)20)9-23-10-13)7-12-4-3-5-14(17-12)16(21)22-2/h3-5,11,13H,6-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 155912463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).