3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride

C106H146ClN11O20 — CID 158352847

About 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride

3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride (PubChem CID 158352847) has the molecular formula C106H146ClN11O20 and a molecular weight of 1929.84 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride
• PubChem CID: 158352847
• Molecular Formula: C106H146ClN11O20
• Molecular Weight: 1929.84 g/mol
• Exact Mass: 1928.04
• IUPAC Name: 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride
• SMILES: CCc1c(N(CC)C2CCOCC2)cc2oc(C=O)cc2c1C(=O)OC.CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O.CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCC3)cc2c1C(=O)O.CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCC3)cc2c1C(=O)OC.COc1cc(C)[nH]c(=O)c1CN.Cl
• InChI: InChI=1S/C31H42N4O5.C24H34N2O4.C23H32N2O4.C20H25NO5.C8H12N2O2.ClH/c1-5-23-26(35(6-2)21-9-13-39-14-10-21)17-28-24(16-22(40-28)19-34-11-7-8-12-34)29(23)31(37)32-18-25-27(38-4)15-20(3)33-30(25)36;1-4-19-21(26(5-2)17-8-12-29-13-9-17)15-22-20(23(19)24(27)28-3)14-18(30-22)16-25-10-6-7-11-25;1-3-18-20(25(4-2)16-7-11-28-12-8-16)14-21-19(22(18)23(26)27)13-17(29-21)15-24-9-5-6-10-24;1-4-15-17(21(5-2)13-6-8-25-9-7-13)11-18-16(10-14(12-22)26-18)19(15)20(23)24-3;1-5-3-7(12-2)6(4-9)8(11)10-5;/h15-17,21H,5-14,18-19H2,1-4H3,(H,32,37)(H,33,36);14-15,17H,4-13,16H2,1-3H3;13-14,16H,3-12,15H2,1-2H3,(H,26,27);10-13H,4-9H2,1-3H3;3H,4,9H2,1-2H3,(H,10,11);1H
• InChIKey: APSFZEVRCZDYOK-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 358.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.84
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride?

The IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride (CID 158352847) is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride.

What is the SMILES notation for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride?

The canonical SMILES for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride is CCc1c(N(CC)C2CCOCC2)cc2oc(C=O)cc2c1C(=O)OC.CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O.CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCC3)cc2c1C(=O)O.CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCC3)cc2c1C(=O)OC.COc1cc(C)[nH]c(=O)c1CN.Cl.

What is the InChIKey of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride?

The InChIKey is APSFZEVRCZDYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O5.C24H34N2O4.C23H32N2O4.C20H25NO5.C8H12N2O2.ClH/c1-5-23-26(35(6-2)21-9-13-39-14-10-21)17-28-24(16-22(40-28)19-34-11-7-8-12-34)29(23)31(37)32-18-25-27(38-4)15-20(3)33-30(25)36;1-4-19-21(26(5-2)17-8-12-29-13-9-17)15-22-20(23(19)24(27)28-3)14-18(30-22)16-25-10-6-7-11-25;1-3-18-20(25(4-2)16-7-11-28-12-8-16)14-21-19(22(18)23(26)27)13-17(29-21)15-24-9-5-6-10-24;1-4-15-17(21(5-2)13-6-8-25-9-7-13)11-18-16(10-14(12-22)26-18)19(15)20(23)24-3;1-5-3-7(12-2)6(4-9)8(11)10-5;/h15-17,21H,5-14,18-19H2,1-4H3,(H,32,37)(H,33,36);14-15,17H,4-13,16H2,1-3H3;13-14,16H,3-12,15H2,1-2H3,(H,26,27);10-13H,4-9H2,1-3H3;3H,4,9H2,1-2H3,(H,10,11);1H.

What are the key properties of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride?

3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride has a molecular weight of 1929.84 g/mol, XLogP of 17.38, 32 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-formyl-1-benzofuran-4-carboxylate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride is sourced from PubChem (CID 158352847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).