2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid

C14H20N2O3 — CID 114106041

IUPAC2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCC2CCOC2C)n1
InChIInChI=1S/C14H20N2O3/c1-3-12-6-11(14(17)18)7-13(16-12)15-8-10-4-5-19-9(10)2/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZRAZJEFFYDSZKA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.18
Rot. Bonds5

About 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid

2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114106041) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID114106041
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCC2CCOC2C)n1
InChIInChI=1S/C14H20N2O3/c1-3-12-6-11(14(17)18)7-13(16-12)15-8-10-4-5-19-9(10)2/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZRAZJEFFYDSZKA-UHFFFAOYSA-N
XLogP2.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dithian-2-ylmethylamino)-6-ethylpyridine-4-carboxylic acid
CID 113489440
2-(oxolan-3-ylmethylamino)-6-propylpyridine-4-carboxylic acid
CID 113380250
4-[(2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136905786
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-ethyl-6-[(1-methylcyclobutyl)methylamino]pyridine-4-carboxylic acid
CID 114108203
6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide
CID 114106328
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163
2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid
CID 106305378
2-[(3-hydroxycyclohexyl)methylamino]-6-propylpyridine-4-carboxylic acid
CID 106136570
5-acetyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 114106956
2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
CID 114093914

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid (CID 114106041) is 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(NCC2CCOC2C)n1.
What is the InChIKey of 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is ZRAZJEFFYDSZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-12-6-11(14(17)18)7-13(16-12)15-8-10-4-5-19-9(10)2/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid?
2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2-methyloxolan-3-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114106041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).