1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide

C25H29N3O4S — CID 42235897

IUPAC1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cn(CCOC)cc(C(=O)NCc2ccc(C)cc2)c1=O)c1cccs1
InChIInChI=1S/C25H29N3O4S/c1-4-21(22-6-5-13-33-22)27-25(31)20-16-28(11-12-32-3)15-19(23(20)29)24(30)26-14-18-9-7-17(2)8-10-18/h5-10,13,15-16,21H,4,11-12,14H2,1-3H3,(H,26,30)(H,27,31)/t21-/m1/s1
InChIKeyMTCOMZDZFUJCAT-OAQYLSRUSA-N
MW467.59 g/mol
LogP3.68
Rot. Bonds10

About 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide

1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide (PubChem CID 42235897) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide
PubChem CID42235897
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide
SMILESCC[C@@H](NC(=O)c1cn(CCOC)cc(C(=O)NCc2ccc(C)cc2)c1=O)c1cccs1
InChIInChI=1S/C25H29N3O4S/c1-4-21(22-6-5-13-33-22)27-25(31)20-16-28(11-12-32-3)15-19(23(20)29)24(30)26-14-18-9-7-17(2)8-10-18/h5-10,13,15-16,21H,4,11-12,14H2,1-3H3,(H,26,30)(H,27,31)/t21-/m1/s1
InChIKeyMTCOMZDZFUJCAT-OAQYLSRUSA-N
XLogP3.68
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide (CID 42235897) is 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide is CC[C@@H](NC(=O)c1cn(CCOC)cc(C(=O)NCc2ccc(C)cc2)c1=O)c1cccs1.
What is the InChIKey of 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide?
The InChIKey is MTCOMZDZFUJCAT-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-4-21(22-6-5-13-33-22)27-25(31)20-16-28(11-12-32-3)15-19(23(20)29)24(30)26-14-18-9-7-17(2)8-10-18/h5-10,13,15-16,21H,4,11-12,14H2,1-3H3,(H,26,30)(H,27,31)/t21-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide?
1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide has a molecular weight of 467.59 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 42235897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).