ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate

C15H18N2O4 — CID 133323689

IUPACethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)(O)c2ccco2)nc1
InChIInChI=1S/C15H18N2O4/c1-3-20-14(18)11-6-7-13(16-9-11)17-10-15(2,19)12-5-4-8-21-12/h4-9,19H,3,10H2,1-2H3,(H,16,17)
InChIKeyKAYCBTPKEDPAKI-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.17
Rot. Bonds6

About ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate

ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate (PubChem CID 133323689) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate
PubChem CID133323689
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)(O)c2ccco2)nc1
InChIInChI=1S/C15H18N2O4/c1-3-20-14(18)11-6-7-13(16-9-11)17-10-15(2,19)12-5-4-8-21-12/h4-9,19H,3,10H2,1-2H3,(H,16,17)
InChIKeyKAYCBTPKEDPAKI-UHFFFAOYSA-N
XLogP2.17
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate
CID 133353047
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid
CID 122054001
6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
CID 133323846
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275509
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
CID 133484221

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate (CID 133323689) is ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCC(C)(O)c2ccco2)nc1.
What is the InChIKey of ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate?
The InChIKey is KAYCBTPKEDPAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-20-14(18)11-6-7-13(16-9-11)17-10-15(2,19)12-5-4-8-21-12/h4-9,19H,3,10H2,1-2H3,(H,16,17).
What are the key properties of ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate?
ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 133323689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).