ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate

C14H22N2O3 — CID 104695418

IUPACethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(O)CC(C)C
InChIInChI=1S/C14H22N2O3/c1-4-19-14(18)12-6-5-7-15-13(12)16-9-11(17)8-10(2)3/h5-7,10-11,17H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyJSUBOAULFCPOMG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.08
Rot. Bonds7

About ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate

ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate (PubChem CID 104695418) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
PubChem CID104695418
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(O)CC(C)C
InChIInChI=1S/C14H22N2O3/c1-4-19-14(18)12-6-5-7-15-13(12)16-9-11(17)8-10(2)3/h5-7,10-11,17H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyJSUBOAULFCPOMG-UHFFFAOYSA-N
XLogP2.08
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate
CID 47082819
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
CID 113414922
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate (CID 104695418) is ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC(O)CC(C)C.
What is the InChIKey of ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate?
The InChIKey is JSUBOAULFCPOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-14(18)12-6-5-7-15-13(12)16-9-11(17)8-10(2)3/h5-7,10-11,17H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate?
ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 104695418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).