1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione

C13H16ClN3O2 — CID 79505874

IUPAC1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione
SMILESCNc1ccc(Cl)c(CN2C(=O)CC(C)CC2=O)n1
InChIInChI=1S/C13H16ClN3O2/c1-8-5-12(18)17(13(19)6-8)7-10-9(14)3-4-11(15-2)16-10/h3-4,8H,5-7H2,1-2H3,(H,15,16)
InChIKeyAKBHCSIURODDQR-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.06
Rot. Bonds3

About 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione

1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione (PubChem CID 79505874) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione
PubChem CID79505874
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione
SMILESCNc1ccc(Cl)c(CN2C(=O)CC(C)CC2=O)n1
InChIInChI=1S/C13H16ClN3O2/c1-8-5-12(18)17(13(19)6-8)7-10-9(14)3-4-11(15-2)16-10/h3-4,8H,5-7H2,1-2H3,(H,15,16)
InChIKeyAKBHCSIURODDQR-UHFFFAOYSA-N
XLogP2.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 55127356
5-chloro-6-[(3,5-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62890938
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512673
1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidine-2,6-dione
CID 55127786
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-ethylpiperazine-2,3-dione
CID 62892416
5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62892235
1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62893195
5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine
CID 62887378
4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione
CID 79506357
5-chloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 63218355
3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340017
5-chloro-N-methyl-6-[(2-methylcyclohexyl)oxymethyl]pyridin-2-amine
CID 62885468

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione (CID 79505874) is 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione is CNc1ccc(Cl)c(CN2C(=O)CC(C)CC2=O)n1.
What is the InChIKey of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione?
The InChIKey is AKBHCSIURODDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8-5-12(18)17(13(19)6-8)7-10-9(14)3-4-11(15-2)16-10/h3-4,8H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione?
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione has a molecular weight of 281.74 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79505874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).