N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

C23H26N4O3S — CID 3226642

IUPACN-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)C(c1ccncc1)N(C(=O)c1sc(C)nc1C)c1cccc(C)c1
InChIInChI=1S/C23H26N4O3S/c1-15-6-5-7-19(14-15)27(23(29)21-16(2)26-17(3)31-21)20(18-8-10-24-11-9-18)22(28)25-12-13-30-4/h5-11,14,20H,12-13H2,1-4H3,(H,25,28)
InChIKeyYHBPDYMVIKWZFW-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 3226642) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID3226642
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)C(c1ccncc1)N(C(=O)c1sc(C)nc1C)c1cccc(C)c1
InChIInChI=1S/C23H26N4O3S/c1-15-6-5-7-19(14-15)27(23(29)21-16(2)26-17(3)31-21)20(18-8-10-24-11-9-18)22(28)25-12-13-30-4/h5-11,14,20H,12-13H2,1-4H3,(H,25,28)
InChIKeyYHBPDYMVIKWZFW-UHFFFAOYSA-N
XLogP3.61
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 3226642) is N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is COCCNC(=O)C(c1ccncc1)N(C(=O)c1sc(C)nc1C)c1cccc(C)c1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YHBPDYMVIKWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15-6-5-7-19(14-15)27(23(29)21-16(2)26-17(3)31-21)20(18-8-10-24-11-9-18)22(28)25-12-13-30-4/h5-11,14,20H,12-13H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3226642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).