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

C15H19N3O2S — CID 47073248

IUPAC1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2csc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)14-17-11(9-21-14)8-18-7-10(13(20)16-4)5-6-12(18)19/h5-7,9H,8H2,1-4H3,(H,16,20)
InChIKeyDZYZQKSMGMKUNG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.01
Rot. Bonds3

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

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 47073248) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
PubChem CID47073248
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2csc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)14-17-11(9-21-14)8-18-7-10(13(20)16-4)5-6-12(18)19/h5-7,9H,8H2,1-4H3,(H,16,20)
InChIKeyDZYZQKSMGMKUNG-UHFFFAOYSA-N
XLogP2.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide (CID 47073248) is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide is CNC(=O)c1ccc(=O)n(Cc2csc(C(C)(C)C)n2)c1.
What is the InChIKey of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is DZYZQKSMGMKUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,3)14-17-11(9-21-14)8-18-7-10(13(20)16-4)5-6-12(18)19/h5-7,9H,8H2,1-4H3,(H,16,20).
What are the key properties of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide?
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 47073248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).