ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate

C12H18N2O5 — CID 107849492

IUPACethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(CO)(CO)CO
InChIInChI=1S/C12H18N2O5/c1-2-19-11(18)9-4-3-5-13-10(9)14-12(6-15,7-16)8-17/h3-5,15-17H,2,6-8H2,1H3,(H,13,14)
InChIKeyDRZTZBRKABVMNS-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.61
Rot. Bonds7

About ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate

ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate (PubChem CID 107849492) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
PubChem CID107849492
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Nameethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(CO)(CO)CO
InChIInChI=1S/C12H18N2O5/c1-2-19-11(18)9-4-3-5-13-10(9)14-12(6-15,7-16)8-17/h3-5,15-17H,2,6-8H2,1H3,(H,13,14)
InChIKeyDRZTZBRKABVMNS-UHFFFAOYSA-N
XLogP-0.61
TPSA111.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
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2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate (CID 107849492) is ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(CO)(CO)CO.
What is the InChIKey of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate?
The InChIKey is DRZTZBRKABVMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-2-19-11(18)9-4-3-5-13-10(9)14-12(6-15,7-16)8-17/h3-5,15-17H,2,6-8H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate?
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate has a molecular weight of 270.28 g/mol, XLogP of -0.61, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 107849492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).