6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid

C12H16N2O2 — CID 122057061

IUPAC6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
SMILESCC1(CCNc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C12H16N2O2/c1-12(5-6-12)7-8-13-10-4-2-3-9(14-10)11(15)16/h2-4H,5-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyVHEFVWGVHAPUNM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.38
Rot. Bonds5

About 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid

6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 122057061) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
PubChem CID122057061
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
SMILESCC1(CCNc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C12H16N2O2/c1-12(5-6-12)7-8-13-10-4-2-3-9(14-10)11(15)16/h2-4H,5-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyVHEFVWGVHAPUNM-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyridin-2-amine
CID 126990897
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044
6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 122048895
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
CID 122054050
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
CID 136548093
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid (CID 122057061) is 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid is CC1(CCNc2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is VHEFVWGVHAPUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(5-6-12)7-8-13-10-4-2-3-9(14-10)11(15)16/h2-4H,5-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid?
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).