6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid

C11H16N2O3 — CID 62240918

IUPAC6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
SMILESCCOCC(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-3-16-7-8(2)12-10-6-4-5-9(13-10)11(14)15/h4-6,8H,3,7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyOSMZRCOOJRBFOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.62
Rot. Bonds6

About 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid

6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid (PubChem CID 62240918) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
PubChem CID62240918
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
SMILESCCOCC(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O3/c1-3-16-7-8(2)12-10-6-4-5-9(13-10)11(14)15/h4-6,8H,3,7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyOSMZRCOOJRBFOO-UHFFFAOYSA-N
XLogP1.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
CID 122047939
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-[[(2S)-butan-2-yl]amino]pyridine-2-carboxamide
CID 123938192
6-(1-ethoxypropan-2-yloxy)pyridine-2-carboxylic acid
CID 103487111
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417
2-(1-ethoxypropan-2-ylamino)-6-fluorobenzoic acid
CID 79522042
N-(1-ethoxypropan-2-yl)pyridazin-3-amine
CID 62483257
2-chloro-6-(1-ethoxypropan-2-ylamino)benzoic acid
CID 62710680
6-(hex-1-yn-3-ylamino)pyridine-2-carboxylic acid
CID 106231059

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid (CID 62240918) is 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid is CCOCC(C)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid?
The InChIKey is OSMZRCOOJRBFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-16-7-8(2)12-10-6-4-5-9(13-10)11(14)15/h4-6,8H,3,7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid?
6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62240918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).