1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone

C24H34N2O2 — CID 100867766

IUPAC1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
SMILESCOc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1
InChIInChI=1S/C24H34N2O2/c1-28-21-9-10-22-17(14-21)4-2-5-18(22)15-24(27)25-13-11-23-19(16-25)6-3-12-26(23)20-7-8-20/h9-10,14,18-20,23H,2-8,11-13,15-16H2,1H3/t18-,19+,23+/m1/s1
InChIKeyRCAQUYUHBJWHCI-MSYCTHLASA-N
MW382.55 g/mol
LogP3.98
Rot. Bonds4

About 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone

1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone (PubChem CID 100867766) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
PubChem CID100867766
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
SMILESCOc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1
InChIInChI=1S/C24H34N2O2/c1-28-21-9-10-22-17(14-21)4-2-5-18(22)15-24(27)25-13-11-23-19(16-25)6-3-12-26(23)20-7-8-20/h9-10,14,18-20,23H,2-8,11-13,15-16H2,1H3/t18-,19+,23+/m1/s1
InChIKeyRCAQUYUHBJWHCI-MSYCTHLASA-N
XLogP3.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone with MolForge

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Related Compounds

1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one
CID 95589805
1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973585
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide
CID 75478677
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
N-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682
2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503
1-[4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11603049
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide
CID 86839663
2-[[(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048664
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 119411829
2-[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]acetic acid
CID 65069242

Frequently Asked Questions

What is the IUPAC name of 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?
The IUPAC name of 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone (CID 100867766) is 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?
The canonical SMILES for 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone is COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1.
What is the InChIKey of 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?
The InChIKey is RCAQUYUHBJWHCI-MSYCTHLASA-N. The full InChI is InChI=1S/C24H34N2O2/c1-28-21-9-10-22-17(14-21)4-2-5-18(22)15-24(27)25-13-11-23-19(16-25)6-3-12-26(23)20-7-8-20/h9-10,14,18-20,23H,2-8,11-13,15-16H2,1H3/t18-,19+,23+/m1/s1.
What are the key properties of 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?
1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone has a molecular weight of 382.55 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone is sourced from PubChem (CID 100867766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).