1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one

C15H24N2O — CID 82526599

IUPAC1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCC(C)CNCc1cccn(C2CCCC2)c1=O
InChIInChI=1S/C15H24N2O/c1-12(2)10-16-11-13-6-5-9-17(15(13)18)14-7-3-4-8-14/h5-6,9,12,14,16H,3-4,7-8,10-11H2,1-2H3
InChIKeySAEYUUBWCNLHHC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds5

About 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one

1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one (PubChem CID 82526599) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
PubChem CID82526599
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCC(C)CNCc1cccn(C2CCCC2)c1=O
InChIInChI=1S/C15H24N2O/c1-12(2)10-16-11-13-6-5-9-17(15(13)18)14-7-3-4-8-14/h5-6,9,12,14,16H,3-4,7-8,10-11H2,1-2H3
InChIKeySAEYUUBWCNLHHC-UHFFFAOYSA-N
XLogP2.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527082
3-(butylaminomethyl)-1-cyclopentylpyridin-2-one
CID 82526600
1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one
CID 82526601
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527314
3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid
CID 82526557
3-(aminomethyl)-1-cyclopropylpyridin-2-one
CID 82186489
N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049
3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 157368116
1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one
CID 82516756
1-[(1S,2R)-2-hydroxycyclopentyl]-3-(2-methylpropyl)pyridin-2-one
CID 157368118
3-(azidomethyl)-1-cyclobutylpyridin-2-one
CID 178075172

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one (CID 82526599) is 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one is CC(C)CNCc1cccn(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The InChIKey is SAEYUUBWCNLHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)10-16-11-13-6-5-9-17(15(13)18)14-7-3-4-8-14/h5-6,9,12,14,16H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82526599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).