2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate

C17H20N2O4 — CID 21312023

IUPAC2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate
SMILESCc1cccc(C)c1Nc1ncccc1C(=O)OCC(O)CO
InChIInChI=1S/C17H20N2O4/c1-11-5-3-6-12(2)15(11)19-16-14(7-4-8-18-16)17(22)23-10-13(21)9-20/h3-8,13,20-21H,9-10H2,1-2H3,(H,18,19)
InChIKeyWGKJULQYOIWVGJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.95
Rot. Bonds6

About 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate

2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate (PubChem CID 21312023) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate
PubChem CID21312023
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate
SMILESCc1cccc(C)c1Nc1ncccc1C(=O)OCC(O)CO
InChIInChI=1S/C17H20N2O4/c1-11-5-3-6-12(2)15(11)19-16-14(7-4-8-18-16)17(22)23-10-13(21)9-20/h3-8,13,20-21H,9-10H2,1-2H3,(H,18,19)
InChIKeyWGKJULQYOIWVGJ-UHFFFAOYSA-N
XLogP1.95
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate
CID 158575497
2,3-dihydroxypropyl 2-amino-3-methylbenzoate
CID 82850226
ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
CID 104695418
ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
CID 106186512
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 23632609
2-(2,6-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 23632545
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939
ethyl 2-[[(2S)-1-hydroxypropan-2-yl]carbamothioylamino]pyridine-3-carboxylate
CID 10802926
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 55211793

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate?
The IUPAC name of 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate (CID 21312023) is 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate?
The canonical SMILES for 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate is Cc1cccc(C)c1Nc1ncccc1C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate?
The InChIKey is WGKJULQYOIWVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-5-3-6-12(2)15(11)19-16-14(7-4-8-18-16)17(22)23-10-13(21)9-20/h3-8,13,20-21H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate?
2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 21312023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).