N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C24H28N4O3S — CID 142261276

IUPACN-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)NCCCn1c(-c2ccc(C(C)C)cc2)cs/c1=N\C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C24H28N4O3S/c1-15(2)18-6-8-19(9-7-18)21-14-32-24(28(21)11-5-10-25-17(4)29)27-23(31)20-13-26-16(3)12-22(20)30/h6-9,12-15H,5,10-11H2,1-4H3,(H,25,29)(H,26,30)/b27-24-
InChIKeySLOOAQXTVHXDPJ-PNHLSOANSA-N
MW452.58 g/mol
LogP3.60
Rot. Bonds7

About N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 142261276) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID142261276
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)NCCCn1c(-c2ccc(C(C)C)cc2)cs/c1=N\C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C24H28N4O3S/c1-15(2)18-6-8-19(9-7-18)21-14-32-24(28(21)11-5-10-25-17(4)29)27-23(31)20-13-26-16(3)12-22(20)30/h6-9,12-15H,5,10-11H2,1-4H3,(H,25,29)(H,26,30)/b27-24-
InChIKeySLOOAQXTVHXDPJ-PNHLSOANSA-N
XLogP3.60
TPSA96.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 142261276) is N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CC(=O)NCCCn1c(-c2ccc(C(C)C)cc2)cs/c1=N\C(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SLOOAQXTVHXDPJ-PNHLSOANSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-15(2)18-6-8-19(9-7-18)21-14-32-24(28(21)11-5-10-25-17(4)29)27-23(31)20-13-26-16(3)12-22(20)30/h6-9,12-15H,5,10-11H2,1-4H3,(H,25,29)(H,26,30)/b27-24-.
What are the key properties of N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetamidopropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 142261276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).