2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid

C14H20N2O2 — CID 79350996

IUPAC2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
SMILESCC1(C)C(CNc2cc(C(=O)O)ccn2)C1(C)C
InChIInChI=1S/C14H20N2O2/c1-13(2)10(14(13,3)4)8-16-11-7-9(12(17)18)5-6-15-11/h5-7,10H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyKZXCDFLPLBZOTI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.87
Rot. Bonds4

About 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid

2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 79350996) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
PubChem CID79350996
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
SMILESCC1(C)C(CNc2cc(C(=O)O)ccn2)C1(C)C
InChIInChI=1S/C14H20N2O2/c1-13(2)10(14(13,3)4)8-16-11-7-9(12(17)18)5-6-15-11/h5-7,10H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyKZXCDFLPLBZOTI-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 80585485
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate
CID 114108227
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid (CID 79350996) is 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid is CC1(C)C(CNc2cc(C(=O)O)ccn2)C1(C)C.
What is the InChIKey of 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is KZXCDFLPLBZOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-13(2)10(14(13,3)4)8-16-11-7-9(12(17)18)5-6-15-11/h5-7,10H,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 79350996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).