1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one

C28H28ClN3O2 — CID 90023118

IUPAC1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
SMILESNC12CC1CN(Cc1ccc3c(c1)CCC(n1ccc(OCc4ccc(Cl)cc4)cc1=O)=C3)C2
InChIInChI=1S/C28H28ClN3O2/c29-24-6-2-19(3-7-24)17-34-26-9-10-32(27(33)13-26)25-8-5-21-11-20(1-4-22(21)12-25)15-31-16-23-14-28(23,30)18-31/h1-4,6-7,9-13,23H,5,8,14-18,30H2
InChIKeyJSUSHWGCRGPLMW-UHFFFAOYSA-N
MW474.00 g/mol
LogP4.56
Rot. Bonds6

About 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one

1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one (PubChem CID 90023118) has the molecular formula C28H28ClN3O2 and a molecular weight of 474.00 g/mol. Its IUPAC name is 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
PubChem CID90023118
Molecular FormulaC28H28ClN3O2
Molecular Weight474.00 g/mol
Exact Mass473.19
IUPAC Name1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
SMILESNC12CC1CN(Cc1ccc3c(c1)CCC(n1ccc(OCc4ccc(Cl)cc4)cc1=O)=C3)C2
InChIInChI=1S/C28H28ClN3O2/c29-24-6-2-19(3-7-24)17-34-26-9-10-32(27(33)13-26)25-8-5-21-11-20(1-4-22(21)12-25)15-31-16-23-14-28(23,30)18-31/h1-4,6-7,9-13,23H,5,8,14-18,30H2
InChIKeyJSUSHWGCRGPLMW-UHFFFAOYSA-N
XLogP4.56
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one with MolForge

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Related Compounds

1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
CID 90022727
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90023131
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(oxan-4-ylmethylamino)methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90014022
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90013895
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[(1,1-dioxothian-4-yl)methylamino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90023174
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 154064888
N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide
CID 90014360
(1R,5R)-3-[(4-chloro-3-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-amine
CID 98815737
1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
CID 123490591
4-[(4-chlorophenyl)methoxy]-1-[4-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethoxy]phenyl]pyridin-2-one
CID 87451926
4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one
CID 123393938
4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one
CID 123140464

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one (CID 90023118) is 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one is NC12CC1CN(Cc1ccc3c(c1)CCC(n1ccc(OCc4ccc(Cl)cc4)cc1=O)=C3)C2.
What is the InChIKey of 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one?
The InChIKey is JSUSHWGCRGPLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O2/c29-24-6-2-19(3-7-24)17-34-26-9-10-32(27(33)13-26)25-8-5-21-11-20(1-4-22(21)12-25)15-31-16-23-14-28(23,30)18-31/h1-4,6-7,9-13,23H,5,8,14-18,30H2.
What are the key properties of 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one?
1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one has a molecular weight of 474.00 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 90023118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).