formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

C23H27N3O5 — CID 155971595

IUPACformic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESO=C(COc1ccccc1)NC[C@H]1[C@H]2CN(c3ccccn3)C[C@]23CC[C@H]1O3.O=CO
InChIInChI=1S/C22H25N3O3.CH2O2/c26-21(14-27-16-6-2-1-3-7-16)24-12-17-18-13-25(20-8-4-5-11-23-20)15-22(18)10-9-19(17)28-22;2-1-3/h1-8,11,17-19H,9-10,12-15H2,(H,24,26);1H,(H,2,3)/t17-,18+,19+,22+;/m0./s1
InChIKeyFSEBFKJXVBTHTE-UCXINICASA-N
MW425.49 g/mol
LogP1.96
Rot. Bonds6

About formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (PubChem CID 155971595) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.

Molecular Properties

Compound Nameformic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
PubChem CID155971595
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Nameformic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESO=C(COc1ccccc1)NC[C@H]1[C@H]2CN(c3ccccn3)C[C@]23CC[C@H]1O3.O=CO
InChIInChI=1S/C22H25N3O3.CH2O2/c26-21(14-27-16-6-2-1-3-7-16)24-12-17-18-13-25(20-8-4-5-11-23-20)15-22(18)10-9-19(17)28-22;2-1-3/h1-8,11,17-19H,9-10,12-15H2,(H,24,26);1H,(H,2,3)/t17-,18+,19+,22+;/m0./s1
InChIKeyFSEBFKJXVBTHTE-UCXINICASA-N
XLogP1.96
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide with MolForge

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Related Compounds

2-phenoxy-N-[[(1S,5S,6R,7R)-3-(1,3-thiazol-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 155502672
N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 155501401
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
(E)-N-[[(1S,5S,6R,7R)-3-(5-methyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-phenylprop-2-enamide
CID 169418383
(E)-N-[[(1S,5S,6R,7R)-3-pyrimidin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]hept-5-enamide
CID 154819502
N-[[(1S,5S,6R,7R)-3-benzyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide;formic acid
CID 155939415
N-[[(1S,5S,6R,7R)-3-(5-ethylpyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
CID 155508406
4-[(1S,5S,6R,7R)-6-[(hexanoylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]pyridine-2-carboxylic acid
CID 155507548
N-[[(1S,5S,6R,7R)-3-(3-cyanopyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-phenylprop-2-enamide
CID 171325895
formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide
CID 155939571
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-(3-chloro-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]thiophene-2-carboxamide
CID 155498876

Frequently Asked Questions

What is the IUPAC name of formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The IUPAC name of formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (CID 155971595) is formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.
What is the SMILES notation for formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The canonical SMILES for formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is O=C(COc1ccccc1)NC[C@H]1[C@H]2CN(c3ccccn3)C[C@]23CC[C@H]1O3.O=CO.
What is the InChIKey of formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The InChIKey is FSEBFKJXVBTHTE-UCXINICASA-N. The full InChI is InChI=1S/C22H25N3O3.CH2O2/c26-21(14-27-16-6-2-1-3-7-16)24-12-17-18-13-25(20-8-4-5-11-23-20)15-22(18)10-9-19(17)28-22;2-1-3/h1-8,11,17-19H,9-10,12-15H2,(H,24,26);1H,(H,2,3)/t17-,18+,19+,22+;/m0./s1.
What are the key properties of formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide has a molecular weight of 425.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-phenoxy-N-[[(1S,5S,6R,7R)-3-pyridin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is sourced from PubChem (CID 155971595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).