N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

C17H23N3O2S — CID 118766213

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H23N3O2S/c1-10-7-11(2)20(6)16(22)14(10)15(21)18-8-13-19-12(9-23-13)17(3,4)5/h7,9H,8H2,1-6H3,(H,18,21)
InChIKeyAGEVTHZKDDPUIU-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.69
Rot. Bonds3

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 118766213) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID118766213
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H23N3O2S/c1-10-7-11(2)20(6)16(22)14(10)15(21)18-8-13-19-12(9-23-13)17(3,4)5/h7,9H,8H2,1-6H3,(H,18,21)
InChIKeyAGEVTHZKDDPUIU-UHFFFAOYSA-N
XLogP2.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (CID 118766213) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)NCc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is AGEVTHZKDDPUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-10-7-11(2)20(6)16(22)14(10)15(21)18-8-13-19-12(9-23-13)17(3,4)5/h7,9H,8H2,1-6H3,(H,18,21).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118766213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).