4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid

C12H18N2O3 — CID 81243462

IUPAC4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
SMILESCCOCC(C)Nc1cc(C)ncc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-4-17-7-9(3)14-11-5-8(2)13-6-10(11)12(15)16/h5-6,9H,4,7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeySKGIHASBRGMEKR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.93
Rot. Bonds6

About 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid

4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81243462) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID81243462
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
SMILESCCOCC(C)Nc1cc(C)ncc1C(=O)O
InChIInChI=1S/C12H18N2O3/c1-4-17-7-9(3)14-11-5-8(2)13-6-10(11)12(15)16/h5-6,9H,4,7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeySKGIHASBRGMEKR-UHFFFAOYSA-N
XLogP1.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid
CID 103487183
6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81244858
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
4-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 106345794
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114942705
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81244022
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382171

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid (CID 81243462) is 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid is CCOCC(C)Nc1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is SKGIHASBRGMEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-17-7-9(3)14-11-5-8(2)13-6-10(11)12(15)16/h5-6,9H,4,7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid?
4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81243462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).