5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid

C13H18ClN3O2 — CID 114919110

IUPAC5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
SMILESCN1CCC(N(C)c2cc(C(=O)O)c(Cl)cn2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-16-5-3-9(4-6-16)17(2)12-7-10(13(18)19)11(14)8-15-12/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyOTGHCWBPUMDZOI-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.96
Rot. Bonds3

About 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid

5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid (PubChem CID 114919110) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
PubChem CID114919110
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
SMILESCN1CCC(N(C)c2cc(C(=O)O)c(Cl)cn2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-16-5-3-9(4-6-16)17(2)12-7-10(13(18)19)11(14)8-15-12/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyOTGHCWBPUMDZOI-UHFFFAOYSA-N
XLogP1.96
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 114919450
5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid
CID 114919807
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55181948
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
5-chloro-N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 114921836
5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114919498
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 55137155
4-(aminomethyl)-5-chloro-N-cyclopropyl-N-methylpyridin-2-amine
CID 114925351
5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
CID 114919777
5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
CID 114919354
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919316

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid (CID 114919110) is 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid is CN1CCC(N(C)c2cc(C(=O)O)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is OTGHCWBPUMDZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-16-5-3-9(4-6-16)17(2)12-7-10(13(18)19)11(14)8-15-12/h7-9H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 283.76 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).