ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol

C25H24N6O5 — CID 143638319

IUPACethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol
SMILESC.CCOC(=O)c1ccncc1OCc1ncccn1.Oc1c(-c2ncccn2)oc2cnccc12
InChIInChI=1S/C13H13N3O3.C11H7N3O2.CH4/c1-2-18-13(17)10-4-7-14-8-11(10)19-9-12-15-5-3-6-16-12;15-9-7-2-5-12-6-8(7)16-10(9)11-13-3-1-4-14-11;/h3-8H,2,9H2,1H3;1-6,15H;1H4
InChIKeyQSGODXJVXWHHPP-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.25
Rot. Bonds6

About ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol

ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol (PubChem CID 143638319) has the molecular formula C25H24N6O5 and a molecular weight of 488.50 g/mol. Its IUPAC name is ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol.

Molecular Properties

Compound Nameethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol
PubChem CID143638319
Molecular FormulaC25H24N6O5
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Nameethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol
SMILESC.CCOC(=O)c1ccncc1OCc1ncccn1.Oc1c(-c2ncccn2)oc2cnccc12
InChIInChI=1S/C13H13N3O3.C11H7N3O2.CH4/c1-2-18-13(17)10-4-7-14-8-11(10)19-9-12-15-5-3-6-16-12;15-9-7-2-5-12-6-8(7)16-10(9)11-13-3-1-4-14-11;/h3-8H,2,9H2,1H3;1-6,15H;1H4
InChIKeyQSGODXJVXWHHPP-UHFFFAOYSA-N
XLogP4.25
TPSA146.24 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol with MolForge

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Related Compounds

3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
ethyl 3-(naphthalen-1-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 58826947
ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 69191709
ethyl [1,3]oxazolo[5,4-c]pyridine-2-carboxylate
CID 177213860
ethyl 1-amino-2,7-naphthyridine-4-carboxylate
CID 73425222
ethyl 3-propan-2-ylpyridine-4-carboxylate
CID 131699762
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
ethyl 4-benzo[c][2,7]naphthyridin-5-ylpyridine-3-carboxylate
CID 138968210
ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate
CID 59298517
ethyl 2-chloroselanylpyridine-3-carboxylate
CID 145320288
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol?
The IUPAC name of ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol (CID 143638319) is ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol.
What is the SMILES notation for ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol?
The canonical SMILES for ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol is C.CCOC(=O)c1ccncc1OCc1ncccn1.Oc1c(-c2ncccn2)oc2cnccc12.
What is the InChIKey of ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol?
The InChIKey is QSGODXJVXWHHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3.C11H7N3O2.CH4/c1-2-18-13(17)10-4-7-14-8-11(10)19-9-12-15-5-3-6-16-12;15-9-7-2-5-12-6-8(7)16-10(9)11-13-3-1-4-14-11;/h3-8H,2,9H2,1H3;1-6,15H;1H4.
What are the key properties of ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol?
ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol has a molecular weight of 488.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(pyrimidin-2-ylmethoxy)pyridine-4-carboxylate;methane;2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-ol is sourced from PubChem (CID 143638319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).