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

C19H22N2O3 — CID 143636254

IUPACethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCC.CCOC(=O)c1oc2ccncc2c1Nc1ccc(C)cc1
InChIInChI=1S/C17H16N2O3.C2H6/c1-3-21-17(20)16-15(13-10-18-9-8-14(13)22-16)19-12-6-4-11(2)5-7-12;1-2/h4-10,19H,3H2,1-2H3;1-2H3
InChIKeySYXADPAISZPJRW-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.08
Rot. Bonds4

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

ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 143636254) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
PubChem CID143636254
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCC.CCOC(=O)c1oc2ccncc2c1Nc1ccc(C)cc1
InChIInChI=1S/C17H16N2O3.C2H6/c1-3-21-17(20)16-15(13-10-18-9-8-14(13)22-16)19-12-6-4-11(2)5-7-12;1-2/h4-10,19H,3H2,1-2H3;1-2H3
InChIKeySYXADPAISZPJRW-UHFFFAOYSA-N
XLogP5.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxamide
CID 143636123
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100
CID 88885978
CID 88885978
ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate
CID 143636039
3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 154558318
ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 90807936
ethyl 3-(naphthalen-1-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 58826947
CID 162504415
CID 162504415
ethyl 3-[(4-phenylmethoxyisoquinolin-7-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 69191709
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate (CID 143636254) is ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate is CC.CCOC(=O)c1oc2ccncc2c1Nc1ccc(C)cc1.
What is the InChIKey of ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is SYXADPAISZPJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3.C2H6/c1-3-21-17(20)16-15(13-10-18-9-8-14(13)22-16)19-12-6-4-11(2)5-7-12;1-2/h4-10,19H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate?
ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 143636254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).