5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one

C11H15ClN2O2 — CID 137449451

IUPAC5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCNc1cc(Cl)cn([C@H]2CCCOC2)c1=O
InChIInChI=1S/C11H15ClN2O2/c1-13-10-5-8(12)6-14(11(10)15)9-3-2-4-16-7-9/h5-6,9,13H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyWXZUNWLZKYYHFN-VIFPVBQESA-N
MW242.71 g/mol
LogP1.89
Rot. Bonds2

About 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one

5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one (PubChem CID 137449451) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
PubChem CID137449451
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
SMILESCNc1cc(Cl)cn([C@H]2CCCOC2)c1=O
InChIInChI=1S/C11H15ClN2O2/c1-13-10-5-8(12)6-14(11(10)15)9-3-2-4-16-7-9/h5-6,9,13H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyWXZUNWLZKYYHFN-VIFPVBQESA-N
XLogP1.89
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
CID 139373545
5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane
CID 142523460
5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449977
5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 148907710
1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139383698
1-cyclopentyl-5-(methylamino)-6-oxopyridine-3-carboxylic acid
CID 66844706
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
1-[(3S)-oxan-3-yl]-3-propan-2-ylpyridin-2-one
CID 146635158
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 137441431
N-[(2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450029
3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-1-[(3R)-oxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 164559456
3-[[7-chloro-1-methyl-6-[6-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-1-[(3S)-oxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 164559321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one (CID 137449451) is 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one is CNc1cc(Cl)cn([C@H]2CCCOC2)c1=O.
What is the InChIKey of 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
The InChIKey is WXZUNWLZKYYHFN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-13-10-5-8(12)6-14(11(10)15)9-3-2-4-16-7-9/h5-6,9,13H,2-4,7H2,1H3/t9-/m0/s1.
What are the key properties of 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one?
5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one has a molecular weight of 242.71 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 137449451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).