1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone

C23H28N2O2 — CID 142940273

IUPAC1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cccc3c2CCCC3CNC2CCCC2)nc1
InChIInChI=1S/C23H28N2O2/c1-16(26)17-12-13-23(25-14-17)27-22-11-5-9-20-18(6-4-10-21(20)22)15-24-19-7-2-3-8-19/h5,9,11-14,18-19,24H,2-4,6-8,10,15H2,1H3
InChIKeyYLRVDRCJVZUMHF-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.03
Rot. Bonds6

About 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone

1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone (PubChem CID 142940273) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone
PubChem CID142940273
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cccc3c2CCCC3CNC2CCCC2)nc1
InChIInChI=1S/C23H28N2O2/c1-16(26)17-12-13-23(25-14-17)27-22-11-5-9-20-18(6-4-10-21(20)22)15-24-19-7-2-3-8-19/h5,9,11-14,18-19,24H,2-4,6-8,10,15H2,1H3
InChIKeyYLRVDRCJVZUMHF-UHFFFAOYSA-N
XLogP5.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone (CID 142940273) is 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone is CC(=O)c1ccc(Oc2cccc3c2CCCC3CNC2CCCC2)nc1.
What is the InChIKey of 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone?
The InChIKey is YLRVDRCJVZUMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(26)17-12-13-23(25-14-17)27-22-11-5-9-20-18(6-4-10-21(20)22)15-24-19-7-2-3-8-19/h5,9,11-14,18-19,24H,2-4,6-8,10,15H2,1H3.
What are the key properties of 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone?
1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone has a molecular weight of 364.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone is sourced from PubChem (CID 142940273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).