ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate

C18H16N2O4 — CID 21354016

IUPACethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ncccc2c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H16N2O4/c1-3-23-18(22)15-14(13-5-4-10-19-17(13)24-15)20-16(21)12-8-6-11(2)7-9-12/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyAOXDLHGMRSAGTH-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.57
Rot. Bonds4

About ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate

ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate (PubChem CID 21354016) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
PubChem CID21354016
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Nameethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ncccc2c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H16N2O4/c1-3-23-18(22)15-14(13-5-4-10-19-17(13)24-15)20-16(21)12-8-6-11(2)7-9-12/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyAOXDLHGMRSAGTH-UHFFFAOYSA-N
XLogP3.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(4-nitrosobenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
CID 89059407
ethyl 3-hydroxyfuro[2,3-b]pyridine-2-carboxylate;hydrochloride
CID 118704537
ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7501787
ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
CID 4642144
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate (CID 21354016) is ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1oc2ncccc2c1NC(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate?
The InChIKey is AOXDLHGMRSAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-23-18(22)15-14(13-5-4-10-19-17(13)24-15)20-16(21)12-8-6-11(2)7-9-12/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate?
ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 21354016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).