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

C17H20N2O4 — CID 158575497

IUPAC2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate
SMILESCc1cccc(Nc2ncccc2C(=O)OCC(O)CO)c1C
InChIInChI=1S/C17H20N2O4/c1-11-5-3-7-15(12(11)2)19-16-14(6-4-8-18-16)17(22)23-10-13(21)9-20/h3-8,13,20-21H,9-10H2,1-2H3,(H,18,19)
InChIKeyHSPKQVRJIFAANS-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.95
Rot. Bonds6

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

2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate (PubChem CID 158575497) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate
PubChem CID158575497
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate
SMILESCc1cccc(Nc2ncccc2C(=O)OCC(O)CO)c1C
InChIInChI=1S/C17H20N2O4/c1-11-5-3-7-15(12(11)2)19-16-14(6-4-8-18-16)17(22)23-10-13(21)9-20/h3-8,13,20-21H,9-10H2,1-2H3,(H,18,19)
InChIKeyHSPKQVRJIFAANS-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-(2,6-dimethylanilino)pyridine-3-carboxylate
CID 21312023
2,3-dihydroxypropyl 2-amino-3-methylbenzoate
CID 82850226
[(E)-4-[2-(3-chloro-2-methylanilino)pyridine-3-carbonyl]oxybut-2-enyl] 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
CID 164931481
3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol
CID 167499748
ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
CID 106186512
2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 44759502
ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
CID 104695418
ethyl 2-methyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 90923584
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
2-methylpropyl 4-[[5-amino-6-(2,3-dimethylanilino)pyrimidin-4-yl]amino]benzoate
CID 19143174
ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
CID 106158125
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate?
The IUPAC name of 2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate (CID 158575497) is 2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate?
The canonical SMILES for 2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate is Cc1cccc(Nc2ncccc2C(=O)OCC(O)CO)c1C.
What is the InChIKey of 2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate?
The InChIKey is HSPKQVRJIFAANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-5-3-7-15(12(11)2)19-16-14(6-4-8-18-16)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-(2,3-dimethylanilino)pyridine-3-carboxylate?
2,3-dihydroxypropyl 2-(2,3-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-(2,3-dimethylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 158575497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).