6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid

C15H20N2O3 — CID 122054940

IUPAC6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid
SMILESCC1(CNc2cccc(C(=O)O)n2)CCOC1C1CC1
InChIInChI=1S/C15H20N2O3/c1-15(7-8-20-13(15)10-5-6-10)9-16-12-4-2-3-11(17-12)14(18)19/h2-4,10,13H,5-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGANCTWLMFDZLHD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds5

About 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid

6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 122054940) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID122054940
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid
SMILESCC1(CNc2cccc(C(=O)O)n2)CCOC1C1CC1
InChIInChI=1S/C15H20N2O3/c1-15(7-8-20-13(15)10-5-6-10)9-16-12-4-2-3-11(17-12)14(18)19/h2-4,10,13H,5-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGANCTWLMFDZLHD-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid (CID 122054940) is 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid is CC1(CNc2cccc(C(=O)O)n2)CCOC1C1CC1.
What is the InChIKey of 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is GANCTWLMFDZLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(7-8-20-13(15)10-5-6-10)9-16-12-4-2-3-11(17-12)14(18)19/h2-4,10,13H,5-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid?
6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).