N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide

C20H27N3O2 — CID 155502999

IUPACN-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
SMILESCc1cnccc1N1C[C@@H]2[C@H](CNC(=O)C3CCC3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H27N3O2/c1-13-9-21-8-6-17(13)23-11-16-15(10-22-19(24)14-3-2-4-14)18-5-7-20(16,12-23)25-18/h6,8-9,14-16,18H,2-5,7,10-12H2,1H3,(H,22,24)/t15-,16+,18+,20+/m0/s1
InChIKeyWQALLPRFDSXSJM-IXIUHKBRSA-N
MW341.46 g/mol
LogP2.29
Rot. Bonds4

About N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide

N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide (PubChem CID 155502999) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
PubChem CID155502999
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
SMILESCc1cnccc1N1C[C@@H]2[C@H](CNC(=O)C3CCC3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H27N3O2/c1-13-9-21-8-6-17(13)23-11-16-15(10-22-19(24)14-3-2-4-14)18-5-7-20(16,12-23)25-18/h6,8-9,14-16,18H,2-5,7,10-12H2,1H3,(H,22,24)/t15-,16+,18+,20+/m0/s1
InChIKeyWQALLPRFDSXSJM-IXIUHKBRSA-N
XLogP2.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,2-dimethyl-N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 155504395
N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155492521
N-[[(1S,5S,6R,7R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155493206
4-methyl-N-[[(1S,5S,6R,7R)-3-(6-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155501572
N-[[(1S,5S,6R,7R)-3-[(3,4-dimethylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide;formic acid
CID 155940572
N-[[(1S,5S,6R,7R)-3-(3-methylbut-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 154823691
N-[[(1S,5S,6R,7R)-3-[(5-chlorofuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155506065
2,3-dimethyl-N-[[(1S,5S,6R,7R)-3-(3-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155918844
5-methyl-N-[[(1S,5S,6R,7R)-3-(3-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155918675
2-methyl-N-[[(1S,5S,6R,7R)-3-(3-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155912231
N-[[(1S,5S,6R,7R)-3-[(1,4-dimethylpiperidin-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide
CID 155496628
N-[[(1S,5S,6R,7R)-3-(3,6-dimethylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155491463

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide (CID 155502999) is N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide is Cc1cnccc1N1C[C@@H]2[C@H](CNC(=O)C3CCC3)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
The InChIKey is WQALLPRFDSXSJM-IXIUHKBRSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-9-21-8-6-17(13)23-11-16-15(10-22-19(24)14-3-2-4-14)18-5-7-20(16,12-23)25-18/h6,8-9,14-16,18H,2-5,7,10-12H2,1H3,(H,22,24)/t15-,16+,18+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide?
N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(3-methyl-4-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 155502999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).