ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate

C20H23FN2O3 — CID 143636271

IUPACethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
SMILESCC.CCOC(=O)c1oc2c(C)cncc2c1Nc1ccc(C)cc1F
InChIInChI=1S/C18H17FN2O3.C2H6/c1-4-23-18(22)17-15(12-9-20-8-11(3)16(12)24-17)21-14-6-5-10(2)7-13(14)19;1-2/h5-9,21H,4H2,1-3H3;1-2H3
InChIKeyLPKXJKWYTJEFSS-UHFFFAOYSA-N
MW358.41 g/mol
LogP5.53
Rot. Bonds4

About ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate

ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate (PubChem CID 143636271) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
PubChem CID143636271
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Nameethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
SMILESCC.CCOC(=O)c1oc2c(C)cncc2c1Nc1ccc(C)cc1F
InChIInChI=1S/C18H17FN2O3.C2H6/c1-4-23-18(22)17-15(12-9-20-8-11(3)16(12)24-17)21-14-6-5-10(2)7-13(14)19;1-2/h5-9,21H,4H2,1-3H3;1-2H3
InChIKeyLPKXJKWYTJEFSS-UHFFFAOYSA-N
XLogP5.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
ethyl 3-(2-fluoro-4-methylanilino)-2-(3-hydroxypropoxycarbamoyl)furo[3,2-c]pyridine-7-carboxylate
CID 143636044
7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 143636049
ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
CID 59704680
ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
CID 143635942
ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
CID 59704595
ethyl 7-chloro-3-(2-fluoro-4-methylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686841
7-chloro-3-(2-fluoro-4-methylanilino)-N-[3-(2-hydroxypropan-2-yloxy)propoxy]furo[3,2-c]pyridine-2-carboxamide
CID 143636089
2-O-benzyl 7-O-ethyl 3-[2-fluoro-4-[methyl(methylidene)-λ4-sulfanyl]anilino]furo[3,2-c]pyridine-2,7-dicarboxylate;molecular hydrogen
CID 143636188
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100
CID 88885978
CID 88885978

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate (CID 143636271) is ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate is CC.CCOC(=O)c1oc2c(C)cncc2c1Nc1ccc(C)cc1F.
What is the InChIKey of ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate?
The InChIKey is LPKXJKWYTJEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3.C2H6/c1-4-23-18(22)17-15(12-9-20-8-11(3)16(12)24-17)21-14-6-5-10(2)7-13(14)19;1-2/h5-9,21H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate?
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate has a molecular weight of 358.41 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 143636271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).