3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid

C13H19N3O2 — CID 114506019

IUPAC3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
SMILESCC1CN(C)CCC1Nc1cccnc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-9-8-16(2)7-5-10(9)15-11-4-3-6-14-12(11)13(17)18/h3-4,6,9-10,15H,5,7-8H2,1-2H3,(H,17,18)
InChIKeyNRINHRYFOZUDJR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.53
Rot. Bonds3

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

3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid (PubChem CID 114506019) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
PubChem CID114506019
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
SMILESCC1CN(C)CCC1Nc1cccnc1C(=O)O
InChIInChI=1S/C13H19N3O2/c1-9-8-16(2)7-5-10(9)15-11-4-3-6-14-12(11)13(17)18/h3-4,6,9-10,15H,5,7-8H2,1-2H3,(H,17,18)
InChIKeyNRINHRYFOZUDJR-UHFFFAOYSA-N
XLogP1.53
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 115770250
8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine
CID 114502970
(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
CID 15541148
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 114504908
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 114504833
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
CID 107854716
2-N-(1,3-dimethylpiperidin-4-yl)pyridine-2,5-diamine
CID 114502996
3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743147

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid (CID 114506019) is 3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid is CC1CN(C)CCC1Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is NRINHRYFOZUDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-8-16(2)7-5-10(9)15-11-4-3-6-14-12(11)13(17)18/h3-4,6,9-10,15H,5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114506019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).