1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one

C17H20N2O — CID 161092924

IUPAC1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
SMILESC[C@H]1CC[C@H](Cc2ccc(-n3ccccc3=O)cn2)C1
InChIInChI=1S/C17H20N2O/c1-13-5-6-14(10-13)11-15-7-8-16(12-18-15)19-9-3-2-4-17(19)20/h2-4,7-9,12-14H,5-6,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyIRMUOFDYBSRBSG-KBPBESRZSA-N
MW268.36 g/mol
LogP3.21
Rot. Bonds3

About 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one

1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one (PubChem CID 161092924) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
PubChem CID161092924
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
SMILESC[C@H]1CC[C@H](Cc2ccc(-n3ccccc3=O)cn2)C1
InChIInChI=1S/C17H20N2O/c1-13-5-6-14(10-13)11-15-7-8-16(12-18-15)19-9-3-2-4-17(19)20/h2-4,7-9,12-14H,5-6,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyIRMUOFDYBSRBSG-KBPBESRZSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[[(1S,3S)-3-aminocyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 161092923
1-[6-[[(1S,3S)-3-[(5-methylsulfanyl-2-pyridinyl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 157399978
1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one
CID 160600124
1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 158252114
1-[6-[(1S,3R)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]oxy-3-pyridinyl]pyridin-2-one
CID 159101591
1-(6-chloro-3-pyridinyl)pyridin-2-one
CID 135221335
1-(6-fluoro-3-pyridinyl)pyridin-2-one
CID 58269450
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100697
1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one
CID 175620248
1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one
CID 155114690
1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]-2-oxopyridine-4-carbonitrile;1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one
CID 160915601
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100937

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one (CID 161092924) is 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one is C[C@H]1CC[C@H](Cc2ccc(-n3ccccc3=O)cn2)C1.
What is the InChIKey of 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one?
The InChIKey is IRMUOFDYBSRBSG-KBPBESRZSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-5-6-14(10-13)11-15-7-8-16(12-18-15)19-9-3-2-4-17(19)20/h2-4,7-9,12-14H,5-6,10-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one?
1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1S,3S)-3-methylcyclopentyl]methyl]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 161092924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).