6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide

C11H11N3O2S — CID 104579123

IUPAC6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cncs2)c[nH]1
InChIInChI=1S/C11H11N3O2S/c1-7-2-10(15)9(5-13-7)11(16)14-4-8-3-12-6-17-8/h2-3,5-6H,4H2,1H3,(H,13,15)(H,14,16)
InChIKeyKQVTXDYUTJCYLF-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.07
Rot. Bonds3

About 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 104579123) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID104579123
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cncs2)c[nH]1
InChIInChI=1S/C11H11N3O2S/c1-7-2-10(15)9(5-13-7)11(16)14-4-8-3-12-6-17-8/h2-3,5-6H,4H2,1H3,(H,13,15)(H,14,16)
InChIKeyKQVTXDYUTJCYLF-UHFFFAOYSA-N
XLogP1.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579063
6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 126799862
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104583444
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717543
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 104860774
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide (CID 104579123) is 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2cncs2)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KQVTXDYUTJCYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-2-10(15)9(5-13-7)11(16)14-4-8-3-12-6-17-8/h2-3,5-6H,4H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 104579123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).