3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid

C12H17N3O2 — CID 106022139

IUPAC3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCN1CCCC1CNc1cccnc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-15-7-3-4-9(15)8-14-10-5-2-6-13-11(10)12(16)17/h2,5-6,9,14H,3-4,7-8H2,1H3,(H,16,17)
InChIKeyVNAIFZVKCRAPRK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.29
Rot. Bonds4

About 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid

3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 106022139) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID106022139
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCN1CCCC1CNc1cccnc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-15-7-3-4-9(15)8-14-10-5-2-6-13-11(10)12(16)17/h2,5-6,9,14H,3-4,7-8H2,1H3,(H,16,17)
InChIKeyVNAIFZVKCRAPRK-UHFFFAOYSA-N
XLogP1.29
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Aminopicolinic acid
CID 73836
5-Acetamidopyridine-2-carboxylic acid
CID 5278292
4-(1H-pyrrol-1-yl)pyridine-2-carboxylic acid
CID 2050136
4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 269643
5-Aminopyridine-2-carboxylic acid
CID 4179726
3-Nitropyridine-2-carboxylic acid
CID 18376612
4-(Methylamino)-2-pyridinecarboxylic acid
CID 2050133
Ethyl 3-aminopyridine-2-carboxylate
CID 565054
Homarine hydrochloride
CID 13645641
5-(Ethanethioylamino)pyridine-2-carboxylic acid
CID 5278293
3-(2,5-Dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
CID 90154501
2-Pyridinecarboxylic acid, 3-((3-(acetylthio)-2-methyl-1-oxopropyl)amino)-
CID 3063378

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid (CID 106022139) is 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid is CN1CCCC1CNc1cccnc1C(=O)O.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is VNAIFZVKCRAPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-7-3-4-9(15)8-14-10-5-2-6-13-11(10)12(16)17/h2,5-6,9,14H,3-4,7-8H2,1H3,(H,16,17).
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid?
3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106022139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).