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

C14H20ClN3O2 — CID 107164219

IUPAC2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCN1CCC(C)(CNc2cc(C(=O)O)cc(Cl)n2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-14(3-5-18(2)6-4-14)9-16-12-8-10(13(19)20)7-11(15)17-12/h7-8H,3-6,9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyFKGKSTTWJJCBPR-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.58
Rot. Bonds4

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

2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 107164219) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID107164219
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCN1CCC(C)(CNc2cc(C(=O)O)cc(Cl)n2)CC1
InChIInChI=1S/C14H20ClN3O2/c1-14(3-5-18(2)6-4-14)9-16-12-8-10(13(19)20)7-11(15)17-12/h7-8H,3-6,9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyFKGKSTTWJJCBPR-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 2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid (CID 107164219) is 2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid is CN1CCC(C)(CNc2cc(C(=O)O)cc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is FKGKSTTWJJCBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(3-5-18(2)6-4-14)9-16-12-8-10(13(19)20)7-11(15)17-12/h7-8H,3-6,9H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid?
2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-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 2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107164219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).