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

About 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[[4-methoxy-6-methyl-2-(oxomethylidene)-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-(oxomethylidene)-1H-pyridin-3-yl]methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide (PubChem CID 176527652) has the molecular formula C32H42N4O6 and a molecular weight of 578.71 g/mol. Its IUPAC name is 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[[4-methoxy-6-methyl-2-(oxomethylidene)-1H-pyridin-3-yl]methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name	5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[[4-methoxy-6-methyl-2-(oxomethylidene)-1H-pyridin-3-yl]methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide
PubChem CID	176527652
Molecular Formula	C32H42N4O6
Molecular Weight	578.71 g/mol
Exact Mass	578.31
IUPAC Name	5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[[4-methoxy-6-methyl-2-(oxomethylidene)-1H-pyridin-3-yl]methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide
SMILES	CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCOCC3)cc2c1C(=O)NCC1=C(OC)C=C(C)NC1=C=O
InChI	InChI=1S/C32H42N4O6/c1-5-24-28(36(6-2)22-7-11-40-12-8-22)17-30-25(16-23(42-30)19-35-9-13-41-14-10-35)31(24)32(38)33-18-26-27(20-37)34-21(3)15-29(26)39-4/h15-17,22,34H,5-14,18-19H2,1-4H3,(H,33,38)
InChIKey	DMGUXDRIWLJRAY-UHFFFAOYSA-N
XLogP	3.69
TPSA	105.51 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	10
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.71
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[[4-methoxy-6-methyl-2-(oxomethylidene)-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-(oxomethylidene)-1H-pyridin-3-yl]methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide (CID 176527652) is 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[[4-methoxy-6-methyl-2-(oxomethylidene)-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-(oxomethylidene)-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-(oxomethylidene)-1H-pyridin-3-yl]methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide is CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCOCC3)cc2c1C(=O)NCC1=C(OC)C=C(C)NC1=C=O.

What is the InChIKey of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[[4-methoxy-6-methyl-2-(oxomethylidene)-1H-pyridin-3-yl]methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide?

The InChIKey is DMGUXDRIWLJRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O6/c1-5-24-28(36(6-2)22-7-11-40-12-8-22)17-30-25(16-23(42-30)19-35-9-13-41-14-10-35)31(24)32(38)33-18-26-27(20-37)34-21(3)15-29(26)39-4/h15-17,22,34H,5-14,18-19H2,1-4H3,(H,33,38).

What are the key properties of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[[4-methoxy-6-methyl-2-(oxomethylidene)-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-(oxomethylidene)-1H-pyridin-3-yl]methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide has a molecular weight of 578.71 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 9 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-(oxomethylidene)-1H-pyridin-3-yl]methyl]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxamide is sourced from PubChem (CID 176527652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).