[2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C21H30N4O2 — CID 135091437

IUPAC[2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN(C)C[C@H]1[C@H]2CN(c3cc(C(=O)N4CCCC4)ccn3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C21H30N4O2/c1-23(2)12-16-17-13-25(14-21(17)7-5-18(16)27-21)19-11-15(6-8-22-19)20(26)24-9-3-4-10-24/h6,8,11,16-18H,3-5,7,9-10,12-14H2,1-2H3/t16-,17+,18+,21+/m0/s1
InChIKeyAXXWIEJSFXZZOH-XKGFGPFHSA-N
MW370.50 g/mol
LogP1.86
Rot. Bonds4

About [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 135091437) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID135091437
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN(C)C[C@H]1[C@H]2CN(c3cc(C(=O)N4CCCC4)ccn3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C21H30N4O2/c1-23(2)12-16-17-13-25(14-21(17)7-5-18(16)27-21)19-11-15(6-8-22-19)20(26)24-9-3-4-10-24/h6,8,11,16-18H,3-5,7,9-10,12-14H2,1-2H3/t16-,17+,18+,21+/m0/s1
InChIKeyAXXWIEJSFXZZOH-XKGFGPFHSA-N
XLogP1.86
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(3-chloro-4-ethoxyphenyl)-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methanone
CID 154817696
N,N-dimethyl-1-[(1R,5R,6S,7S)-3-(6-methylsulfanyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine
CID 162636353
[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(3-fluoro-5-methylphenyl)methanone
CID 154820866
1-[(1S,5S,6R,7R)-3-(5-chloropyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]-N,N-dimethylmethanamine
CID 154816723
1-[(1S,5S,6R,7R)-3-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]-N,N-dimethylmethanamine
CID 154817787
N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine
CID 154822269
N-[[(1S,5S,6R,7R)-3-(2-methylpyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155509374
6-methyl-N-[[(1S,5S,6R,7R)-3-(4-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
CID 155912819
N-[[(1S,5S,6R,7R)-3-(2-aminopyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methylbenzamide
CID 155507632
formic acid;methyl 6-[(1R,5R,6S,7S)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carbonyl]pyridine-3-carboxylate
CID 171317280
N-[[(1S,5S,6R,7R)-3-(4-cyano-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylfuran-2-carboxamide
CID 155499338
(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-N-(3,5-dimethylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
CID 154823684

Frequently Asked Questions

What is the IUPAC name of [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 135091437) is [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is CN(C)C[C@H]1[C@H]2CN(c3cc(C(=O)N4CCCC4)ccn3)C[C@]23CC[C@H]1O3.
What is the InChIKey of [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is AXXWIEJSFXZZOH-XKGFGPFHSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23(2)12-16-17-13-25(14-21(17)7-5-18(16)27-21)19-11-15(6-8-22-19)20(26)24-9-3-4-10-24/h6,8,11,16-18H,3-5,7,9-10,12-14H2,1-2H3/t16-,17+,18+,21+/m0/s1.
What are the key properties of [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 370.50 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135091437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).