5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide

C31H42N4O6 — CID 135332242

IUPAC5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide
SMILESCCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCOCC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
InChIInChI=1S/C31H42N4O6/c1-5-23-26(35(6-2)21-7-11-39-12-8-21)17-28-24(16-22(41-28)19-34-9-13-40-14-10-34)29(23)31(37)32-18-25-27(38-4)15-20(3)33-30(25)36/h15-17,21H,5-14,18-19H2,1-4H3,(H,32,37)(H,33,36)
InChIKeyHGVOGVKCDOMMKJ-UHFFFAOYSA-N
MW566.70 g/mol
LogP3.77
Rot. Bonds10

About 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-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-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide (PubChem CID 135332242) has the molecular formula C31H42N4O6 and a molecular weight of 566.70 g/mol. Its IUPAC name is 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide
PubChem CID135332242
Molecular FormulaC31H42N4O6
Molecular Weight566.70 g/mol
Exact Mass566.31
IUPAC Name5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide
SMILESCCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCOCC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
InChIInChI=1S/C31H42N4O6/c1-5-23-26(35(6-2)21-7-11-39-12-8-21)17-28-24(16-22(41-28)19-34-9-13-40-14-10-34)29(23)31(37)32-18-25-27(38-4)15-20(3)33-30(25)36/h15-17,21H,5-14,18-19H2,1-4H3,(H,32,37)(H,33,36)
InChIKeyHGVOGVKCDOMMKJ-UHFFFAOYSA-N
XLogP3.77
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.70
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide with MolForge

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Related Compounds

CID 133081962
CID 133081962
CID 135332314
CID 135332314
CID 135332315
CID 135332315
CID 145956125
CID 145956125
CID 145957459
CID 145957459
CID 145959121
CID 145959121
CID 135332272
CID 135332272
CID 135332273
CID 135332273
CID 135332286
CID 135332286
CID 135332289
CID 135332289
CID 135332326
CID 135332326
CID 140943064
CID 140943064

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide?
The IUPAC name of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide (CID 135332242) is 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide.
What is the SMILES notation for 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide?
The canonical SMILES for 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide is CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCOCC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide?
The InChIKey is HGVOGVKCDOMMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O6/c1-5-23-26(35(6-2)21-7-11-39-12-8-21)17-28-24(16-22(41-28)19-34-9-13-40-14-10-34)29(23)31(37)32-18-25-27(38-4)15-20(3)33-30(25)36/h15-17,21H,5-14,18-19H2,1-4H3,(H,32,37)(H,33,36).
What are the key properties of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-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-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide has a molecular weight of 566.70 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide is sourced from PubChem (CID 135332242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).