5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid

C12H17N3O2 — CID 104638890

IUPAC5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCN(CCNc1ccc(C(=O)O)nc1)C1CC1
InChIInChI=1S/C12H17N3O2/c1-15(10-3-4-10)7-6-13-9-2-5-11(12(16)17)14-8-9/h2,5,8,10,13H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyOMWATZPYKLTEFI-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.29
Rot. Bonds6

About 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid

5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid (PubChem CID 104638890) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
PubChem CID104638890
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCN(CCNc1ccc(C(=O)O)nc1)C1CC1
InChIInChI=1S/C12H17N3O2/c1-15(10-3-4-10)7-6-13-9-2-5-11(12(16)17)14-8-9/h2,5,8,10,13H,3-4,6-7H2,1H3,(H,16,17)
InChIKeyOMWATZPYKLTEFI-UHFFFAOYSA-N
XLogP1.29
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949
5-[2-[cyclopentyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 115487694
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697089
N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62980103

Frequently Asked Questions

What is the IUPAC name of 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid (CID 104638890) is 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid is CN(CCNc1ccc(C(=O)O)nc1)C1CC1.
What is the InChIKey of 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is OMWATZPYKLTEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(10-3-4-10)7-6-13-9-2-5-11(12(16)17)14-8-9/h2,5,8,10,13H,3-4,6-7H2,1H3,(H,16,17).
What are the key properties of 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid?
5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).