2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid

C10H13N3O2 — CID 131019802

IUPAC2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCN1CC(Nc2ncccc2C(=O)O)C1
InChIInChI=1S/C10H13N3O2/c1-13-5-7(6-13)12-9-8(10(14)15)3-2-4-11-9/h2-4,7H,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyPCZZHXZHWDHIGV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.51
Rot. Bonds3

About 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid

2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 131019802) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID131019802
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESCN1CC(Nc2ncccc2C(=O)O)C1
InChIInChI=1S/C10H13N3O2/c1-13-5-7(6-13)12-9-8(10(14)15)3-2-4-11-9/h2-4,7H,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyPCZZHXZHWDHIGV-UHFFFAOYSA-N
XLogP0.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 43317156
2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
CID 90093326
3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 107062071
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239
[2-(cyclopentylamino)-3-pyridinyl]-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]methanone
CID 155950757
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid
CID 166258142
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652537
N-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxamide
CID 134703000
2-[(2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-yl)amino]pyridine-3-carboxylic acid
CID 101154329
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid (CID 131019802) is 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid is CN1CC(Nc2ncccc2C(=O)O)C1.
What is the InChIKey of 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is PCZZHXZHWDHIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13-5-7(6-13)12-9-8(10(14)15)3-2-4-11-9/h2-4,7H,5-6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid?
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 131019802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).