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

C20H29N3O2 — CID 155504395

IUPAC2,2-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
SMILESCc1cnccc1N1C[C@@H]2[C@H](CNC(=O)C(C)(C)C)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H29N3O2/c1-13-9-21-8-6-16(13)23-11-15-14(10-22-18(24)19(2,3)4)17-5-7-20(15,12-23)25-17/h6,8-9,14-15,17H,5,7,10-12H2,1-4H3,(H,22,24)/t14-,15+,17+,20+/m0/s1
InChIKeyHUMBSGAGUBIVCL-DKYLXPRQSA-N
MW343.47 g/mol
LogP2.54
Rot. Bonds3

About 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

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 (PubChem CID 155504395) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID155504395
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2,2-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
SMILESCc1cnccc1N1C[C@@H]2[C@H](CNC(=O)C(C)(C)C)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H29N3O2/c1-13-9-21-8-6-16(13)23-11-15-14(10-22-18(24)19(2,3)4)17-5-7-20(15,12-23)25-17/h6,8-9,14-15,17H,5,7,10-12H2,1-4H3,(H,22,24)/t14-,15+,17+,20+/m0/s1
InChIKeyHUMBSGAGUBIVCL-DKYLXPRQSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnccc1N1C[C@@H]2[C@H](CNC(=O)C(C)(C)C)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of 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?
The InChIKey is HUMBSGAGUBIVCL-DKYLXPRQSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13-9-21-8-6-16(13)23-11-15-14(10-22-18(24)19(2,3)4)17-5-7-20(15,12-23)25-17/h6,8-9,14-15,17H,5,7,10-12H2,1-4H3,(H,22,24)/t14-,15+,17+,20+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 343.47 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155504395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).