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

C32H44N4O5 — CID 135332289

IUPAC5-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
SMILESCCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCCC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
InChIInChI=1S/C32H44N4O5/c1-5-24-27(36(6-2)22-10-14-40-15-11-22)18-29-25(17-23(41-29)20-35-12-8-7-9-13-35)30(24)32(38)33-19-26-28(39-4)16-21(3)34-31(26)37/h16-18,22H,5-15,19-20H2,1-4H3,(H,33,38)(H,34,37)
InChIKeyQPPMMEVJOAYDNF-UHFFFAOYSA-N
MW564.73 g/mol
LogP4.92
Rot. Bonds10

About 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

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 (PubChem CID 135332289) has the molecular formula C32H44N4O5 and a molecular weight of 564.73 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-(piperidin-1-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-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide
PubChem CID135332289
Molecular FormulaC32H44N4O5
Molecular Weight564.73 g/mol
Exact Mass564.33
IUPAC Name5-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
SMILESCCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCCC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
InChIInChI=1S/C32H44N4O5/c1-5-24-27(36(6-2)22-10-14-40-15-11-22)18-29-25(17-23(41-29)20-35-12-8-7-9-13-35)30(24)32(38)33-19-26-28(39-4)16-21(3)34-31(26)37/h16-18,22H,5-15,19-20H2,1-4H3,(H,33,38)(H,34,37)
InChIKeyQPPMMEVJOAYDNF-UHFFFAOYSA-N
XLogP4.92
TPSA100.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.73
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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

Launch Full Analysis

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-(piperidin-1-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-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide (CID 135332289) is 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.
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-(piperidin-1-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-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide is CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCCC3)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-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide?
The InChIKey is QPPMMEVJOAYDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O5/c1-5-24-27(36(6-2)22-10-14-40-15-11-22)18-29-25(17-23(41-29)20-35-12-8-7-9-13-35)30(24)32(38)33-19-26-28(39-4)16-21(3)34-31(26)37/h16-18,22H,5-15,19-20H2,1-4H3,(H,33,38)(H,34,37).
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-(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 has a molecular weight of 564.73 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 7 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-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide is sourced from PubChem (CID 135332289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).