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

C62H81ClN6O11 — CID 159767971

IUPAC3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride
SMILESCCc1c(N(CC2CC2)C2CCOCC2)cc2oc(C3CC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O.CCc1c(N(CC2CC2)C2CCOCC2)cc2oc(C3CC3)cc2c1C(=O)O.COc1cc(C)[nH]c(=O)c1CN.Cl
InChIInChI=1S/C31H39N3O5.C23H29NO4.C8H12N2O2.ClH/c1-4-22-25(34(17-19-5-6-19)21-9-11-38-12-10-21)15-28-23(14-26(39-28)20-7-8-20)29(22)31(36)32-16-24-27(37-3)13-18(2)33-30(24)35;1-2-17-19(24(13-14-3-4-14)16-7-9-27-10-8-16)12-21-18(22(17)23(25)26)11-20(28-21)15-5-6-15;1-5-3-7(12-2)6(4-9)8(11)10-5;/h13-15,19-21H,4-12,16-17H2,1-3H3,(H,32,36)(H,33,35);11-12,14-16H,2-10,13H2,1H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11);1H
InChIKeyANJIAIGOCWSTSN-UHFFFAOYSA-N
MW1121.81 g/mol
LogP10.74
Rot. Bonds19

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

3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride (PubChem CID 159767971) has the molecular formula C62H81ClN6O11 and a molecular weight of 1121.81 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride
PubChem CID159767971
Molecular FormulaC62H81ClN6O11
Molecular Weight1121.81 g/mol
Exact Mass1120.57
IUPAC Name3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride
SMILESCCc1c(N(CC2CC2)C2CCOCC2)cc2oc(C3CC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O.CCc1c(N(CC2CC2)C2CCOCC2)cc2oc(C3CC3)cc2c1C(=O)O.COc1cc(C)[nH]c(=O)c1CN.Cl
InChIInChI=1S/C31H39N3O5.C23H29NO4.C8H12N2O2.ClH/c1-4-22-25(34(17-19-5-6-19)21-9-11-38-12-10-21)15-28-23(14-26(39-28)20-7-8-20)29(22)31(36)32-16-24-27(37-3)13-18(2)33-30(24)35;1-2-17-19(24(13-14-3-4-14)16-7-9-27-10-8-16)12-21-18(22(17)23(25)26)11-20(28-21)15-5-6-15;1-5-3-7(12-2)6(4-9)8(11)10-5;/h13-15,19-21H,4-12,16-17H2,1-3H3,(H,32,36)(H,33,35);11-12,14-16H,2-10,13H2,1H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11);1H
InChIKeyANJIAIGOCWSTSN-UHFFFAOYSA-N
XLogP10.74
TPSA227.82 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.81
LogP ≤ 510.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide
CID 135332309
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
2-[(4,4-difluoropiperidin-1-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide
CID 135332345
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[ethyl(oxan-4-yl)amino]-2-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide;6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-2-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide
CID 158498361
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-1-benzofuran-4-carboxamide;hydrochloride
CID 159188054
3-[[[[5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(1-methylpiperidin-4-yl)-1-benzofuran-4-yl]-hydroxymethyl]amino]methyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 155083942
2-[(dimethylamino)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-4-carboxamide
CID 161182082
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;tert-butyl 4-[[5-ethyl-6-[ethyl(oxan-4-yl)amino]-4-methoxycarbonyl-1-benzofuran-2-yl]methyl]piperazine-1-carboxylate;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-1-benzofuran-4-carboxamide;5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-1-benzofuran-4-carboxylic acid;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(piperazin-1-ylmethyl)-1-benzofuran-4-carboxylate;hydrochloride
CID 161316256
ethane;6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-benzofuran-4-carboxamide
CID 145310356
3-[[1-[5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-1-benzofuran-4-yl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 146223186
3-[[[6-[ethyl(oxan-4-yl)amino]-5-methyl-2-(1-methylpiperidin-4-yl)-1-benzofuran-4-yl]methoxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 155083954
tert-butyl formate;methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-piperidin-4-yl-1-benzofuran-4-carboxylate
CID 161344273

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride?
The IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride (CID 159767971) is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride is CCc1c(N(CC2CC2)C2CCOCC2)cc2oc(C3CC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O.CCc1c(N(CC2CC2)C2CCOCC2)cc2oc(C3CC3)cc2c1C(=O)O.COc1cc(C)[nH]c(=O)c1CN.Cl.
What is the InChIKey of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride?
The InChIKey is ANJIAIGOCWSTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O5.C23H29NO4.C8H12N2O2.ClH/c1-4-22-25(34(17-19-5-6-19)21-9-11-38-12-10-21)15-28-23(14-26(39-28)20-7-8-20)29(22)31(36)32-16-24-27(37-3)13-18(2)33-30(24)35;1-2-17-19(24(13-14-3-4-14)16-7-9-27-10-8-16)12-21-18(22(17)23(25)26)11-20(28-21)15-5-6-15;1-5-3-7(12-2)6(4-9)8(11)10-5;/h13-15,19-21H,4-12,16-17H2,1-3H3,(H,32,36)(H,33,35);11-12,14-16H,2-10,13H2,1H3,(H,25,26);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;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride?
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride has a molecular weight of 1121.81 g/mol, XLogP of 10.74, 19 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-1-benzofuran-4-carboxylic acid;2-cyclopropyl-6-[cyclopropylmethyl(oxan-4-yl)amino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-benzofuran-4-carboxamide;hydrochloride is sourced from PubChem (CID 159767971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).