6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide

C33H37N7O5 — CID 23729792

IUPAC6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)cn2)cc1
InChIInChI=1S/C33H37N7O5/c1-38-22-27(18-29(38)32(42)34-12-13-40-14-16-45-17-15-40)37-33(43)30-19-26(21-39(30)2)36-31(41)24-7-9-25(35-20-24)8-4-23-5-10-28(44-3)11-6-23/h4-11,18-22H,12-17H2,1-3H3,(H,34,42)(H,36,41)(H,37,43)/b8-4+
InChIKeyZQHSYDVYWMBVNR-XBXARRHUSA-N
MW611.70 g/mol
LogP3.50
Rot. Bonds11

About 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide

6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide (PubChem CID 23729792) has the molecular formula C33H37N7O5 and a molecular weight of 611.70 g/mol. Its IUPAC name is 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide
PubChem CID23729792
Molecular FormulaC33H37N7O5
Molecular Weight611.70 g/mol
Exact Mass611.29
IUPAC Name6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)cn2)cc1
InChIInChI=1S/C33H37N7O5/c1-38-22-27(18-29(38)32(42)34-12-13-40-14-16-45-17-15-40)37-33(43)30-19-26(21-39(30)2)36-31(41)24-7-9-25(35-20-24)8-4-23-5-10-28(44-3)11-6-23/h4-11,18-22H,12-17H2,1-3H3,(H,34,42)(H,36,41)(H,37,43)/b8-4+
InChIKeyZQHSYDVYWMBVNR-XBXARRHUSA-N
XLogP3.50
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.70
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide (CID 23729792) is 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide is COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)cn2)cc1.
What is the InChIKey of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide?
The InChIKey is ZQHSYDVYWMBVNR-XBXARRHUSA-N. The full InChI is InChI=1S/C33H37N7O5/c1-38-22-27(18-29(38)32(42)34-12-13-40-14-16-45-17-15-40)37-33(43)30-19-26(21-39(30)2)36-31(41)24-7-9-25(35-20-24)8-4-23-5-10-28(44-3)11-6-23/h4-11,18-22H,12-17H2,1-3H3,(H,34,42)(H,36,41)(H,37,43)/b8-4+.
What are the key properties of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide?
6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide has a molecular weight of 611.70 g/mol, XLogP of 3.50, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 23729792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).