5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one

C14H22ClN3O — CID 137449507

IUPAC5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cc(Cl)cn(C2CCCN(C)C2)c1=O
InChIInChI=1S/C14H22ClN3O/c1-10(2)16-13-7-11(15)8-18(14(13)19)12-5-4-6-17(3)9-12/h7-8,10,12,16H,4-6,9H2,1-3H3
InChIKeyDQRLIPVFPMVRLZ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.59
Rot. Bonds3

About 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one

5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137449507) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137449507
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cc(Cl)cn(C2CCCN(C)C2)c1=O
InChIInChI=1S/C14H22ClN3O/c1-10(2)16-13-7-11(15)8-18(14(13)19)12-5-4-6-17(3)9-12/h7-8,10,12,16H,4-6,9H2,1-3H3
InChIKeyDQRLIPVFPMVRLZ-UHFFFAOYSA-N
XLogP2.59
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide
CID 45268244
1-Methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
CID 171346454
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 164640688
5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449077
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449078
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449097
1-[1-(2-Fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449100
1-[1-(2-Fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449107
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449496
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(methylamino)pyridin-2-one
CID 137449499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one (CID 137449507) is 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cc(Cl)cn(C2CCCN(C)C2)c1=O.
What is the InChIKey of 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is DQRLIPVFPMVRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)16-13-7-11(15)8-18(14(13)19)12-5-4-6-17(3)9-12/h7-8,10,12,16H,4-6,9H2,1-3H3.
What are the key properties of 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one?
5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 283.80 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-methylpiperidin-3-yl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137449507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).