ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate

C12H18N2O4 — CID 106186512

IUPACethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(CO)COC
InChIInChI=1S/C12H18N2O4/c1-3-18-12(16)10-5-4-6-13-11(10)14-9(7-15)8-17-2/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyDCQBFVCGZAYXAS-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.68
Rot. Bonds7

About ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate

ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate (PubChem CID 106186512) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
PubChem CID106186512
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(CO)COC
InChIInChI=1S/C12H18N2O4/c1-3-18-12(16)10-5-4-6-13-11(10)14-9(7-15)8-17-2/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyDCQBFVCGZAYXAS-UHFFFAOYSA-N
XLogP0.68
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 106158125
ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
CID 80698274
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
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ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61480191
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CID 60722314
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-[[(2S)-1-hydroxypropan-2-yl]carbamothioylamino]pyridine-3-carboxylate
CID 10802926
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
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3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106197957

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate (CID 106186512) is ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(CO)COC.
What is the InChIKey of ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate?
The InChIKey is DCQBFVCGZAYXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-18-12(16)10-5-4-6-13-11(10)14-9(7-15)8-17-2/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate?
ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 106186512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).