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

C14H21N3O2 — CID 107164229

IUPAC6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCN1CCC(C)(CNc2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(5-7-17(2)8-6-14)10-16-12-4-3-11(9-15-12)13(18)19/h3-4,9H,5-8,10H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyWVOZIRMYXQWBHV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.92
Rot. Bonds4

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

6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 107164229) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID107164229
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCN1CCC(C)(CNc2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(5-7-17(2)8-6-14)10-16-12-4-3-11(9-15-12)13(18)19/h3-4,9H,5-8,10H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyWVOZIRMYXQWBHV-UHFFFAOYSA-N
XLogP1.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid
CID 107164219
5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 107164989
4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
CID 114214734
6-[(1-methylsulfanylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114116581
methyl 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridazine-3-carboxylate
CID 107164283
6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164247
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
6-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 107164897
6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63829285
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 103989953
[6-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 134700458

Frequently Asked Questions

What is the IUPAC name of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid (CID 107164229) is 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid is CN1CCC(C)(CNc2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is WVOZIRMYXQWBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(5-7-17(2)8-6-14)10-16-12-4-3-11(9-15-12)13(18)19/h3-4,9H,5-8,10H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid?
6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 107164229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).