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

C13H20N2O — CID 82527082

IUPAC1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCC(C)CNCc1cccn(C2CC2)c1=O
InChIInChI=1S/C13H20N2O/c1-10(2)8-14-9-11-4-3-7-15(13(11)16)12-5-6-12/h3-4,7,10,12,14H,5-6,8-9H2,1-2H3
InChIKeyHAFZXSDVVKFUMF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.93
Rot. Bonds5

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

1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one (PubChem CID 82527082) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
PubChem CID82527082
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCC(C)CNCc1cccn(C2CC2)c1=O
InChIInChI=1S/C13H20N2O/c1-10(2)8-14-9-11-4-3-7-15(13(11)16)12-5-6-12/h3-4,7,10,12,14H,5-6,8-9H2,1-2H3
InChIKeyHAFZXSDVVKFUMF-UHFFFAOYSA-N
XLogP1.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82526599
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527314
3-(butylaminomethyl)-1-cyclopentylpyridin-2-one
CID 82526600
3-(aminomethyl)-1-cyclopropylpyridin-2-one
CID 82186489
1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one
CID 82526601
1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one
CID 82516756
3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 157368116
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393
N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one (CID 82527082) is 1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one is CC(C)CNCc1cccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The InChIKey is HAFZXSDVVKFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)8-14-9-11-4-3-7-15(13(11)16)12-5-6-12/h3-4,7,10,12,14H,5-6,8-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82527082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).