3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one

C12H18N2O2 — CID 137449432

IUPAC3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one
SMILESCNc1cccn(CC2CCCCO2)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-11-6-4-7-14(12(11)15)9-10-5-2-3-8-16-10/h4,6-7,10,13H,2-3,5,8-9H2,1H3
InChIKeyYFIORVPMTXAYRS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds3

About 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one

3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one (PubChem CID 137449432) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one
PubChem CID137449432
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one
SMILESCNc1cccn(CC2CCCCO2)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-11-6-4-7-14(12(11)15)9-10-5-2-3-8-16-10/h4,6-7,10,13H,2-3,5,8-9H2,1H3
InChIKeyYFIORVPMTXAYRS-UHFFFAOYSA-N
XLogP1.46
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Cyclopentyloxycyclohexyl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 75434318
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 132360567
5-fluoro-3-(methylamino)-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 137449457
5-Fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one
CID 137449459
5-fluoro-1-[(3S)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373474
5-fluoro-1-[(3R)-oxan-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 139383745
5-Fluoro-1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139390394
3-Amino-1-[(oxan-2-yl)methyl]-1,2-dihydropyridin-2-one
CID 62101298
1-[(3R,4R)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449048
1-(4-Methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449049
1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449050
1-[(1S,2S)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one
CID 137449051

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one (CID 137449432) is 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one is CNc1cccn(CC2CCCCO2)c1=O.
What is the InChIKey of 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one?
The InChIKey is YFIORVPMTXAYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-11-6-4-7-14(12(11)15)9-10-5-2-3-8-16-10/h4,6-7,10,13H,2-3,5,8-9H2,1H3.
What are the key properties of 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one?
3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(oxan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 137449432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).