ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate

C16H20N2O4 — CID 133353047

IUPACethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)(O)c2ccc(C)o2)nc1
InChIInChI=1S/C16H20N2O4/c1-4-21-15(19)12-6-8-14(17-9-12)18-10-16(3,20)13-7-5-11(2)22-13/h5-9,20H,4,10H2,1-3H3,(H,17,18)
InChIKeyCWPBOYUZPCKSTL-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.48
Rot. Bonds6

About ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate

ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate (PubChem CID 133353047) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate
PubChem CID133353047
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)(O)c2ccc(C)o2)nc1
InChIInChI=1S/C16H20N2O4/c1-4-21-15(19)12-6-8-14(17-9-12)18-10-16(3,20)13-7-5-11(2)22-13/h5-9,20H,4,10H2,1-3H3,(H,17,18)
InChIKeyCWPBOYUZPCKSTL-UHFFFAOYSA-N
XLogP2.48
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 133323689
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate (CID 133353047) is ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCC(C)(O)c2ccc(C)o2)nc1.
What is the InChIKey of ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate?
The InChIKey is CWPBOYUZPCKSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-21-15(19)12-6-8-14(17-9-12)18-10-16(3,20)13-7-5-11(2)22-13/h5-9,20H,4,10H2,1-3H3,(H,17,18).
What are the key properties of ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate?
ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 133353047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).