N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C16H20N4O3S — CID 16881507

IUPACN-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1
InChIInChI=1S/C16H20N4O3S/c1-10(2)5-7-17-13(21)8-11-9-24-16(19-11)20-15(23)12-4-3-6-18-14(12)22/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20,23)
InChIKeyWCFXJSILUAYBFQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.79
Rot. Bonds7

About N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 16881507) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID16881507
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1
InChIInChI=1S/C16H20N4O3S/c1-10(2)5-7-17-13(21)8-11-9-24-16(19-11)20-15(23)12-4-3-6-18-14(12)22/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20,23)
InChIKeyWCFXJSILUAYBFQ-UHFFFAOYSA-N
XLogP1.79
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 16881507) is N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is CC(C)CCNC(=O)Cc1csc(NC(=O)c2ccc[nH]c2=O)n1.
What is the InChIKey of N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WCFXJSILUAYBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10(2)5-7-17-13(21)8-11-9-24-16(19-11)20-15(23)12-4-3-6-18-14(12)22/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20,23).
What are the key properties of N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methylbutylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).