6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid

C14H20ClN3O2 — CID 107164247

IUPAC6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCN1CCC(C)(CNc2nc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H20ClN3O2/c1-14(5-7-18(2)8-6-14)9-16-12-10(13(19)20)3-4-11(15)17-12/h3-4H,5-9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyJIKJLWMJPXOADN-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.58
Rot. Bonds4

About 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid

6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 107164247) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID107164247
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCN1CCC(C)(CNc2nc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H20ClN3O2/c1-14(5-7-18(2)8-6-14)9-16-12-10(13(19)20)3-4-11(15)17-12/h3-4H,5-9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyJIKJLWMJPXOADN-UHFFFAOYSA-N
XLogP2.58
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid (CID 107164247) is 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid is CN1CCC(C)(CNc2nc(Cl)ccc2C(=O)O)CC1.
What is the InChIKey of 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is JIKJLWMJPXOADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(5-7-18(2)8-6-14)9-16-12-10(13(19)20)3-4-11(15)17-12/h3-4H,5-9H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid?
6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 297.79 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 107164247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).