6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide

C13H15N3O2S — CID 103718209

IUPAC6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1c[nH]c(C)cc1=O)c1nccs1
InChIInChI=1S/C13H15N3O2S/c1-3-10(13-14-4-5-19-13)16-12(18)9-7-15-8(2)6-11(9)17/h4-7,10H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyAZTQMSRKMNGWDP-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.02
Rot. Bonds4

About 6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide (PubChem CID 103718209) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
PubChem CID103718209
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1c[nH]c(C)cc1=O)c1nccs1
InChIInChI=1S/C13H15N3O2S/c1-3-10(13-14-4-5-19-13)16-12(18)9-7-15-8(2)6-11(9)17/h4-7,10H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyAZTQMSRKMNGWDP-UHFFFAOYSA-N
XLogP2.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide (CID 103718209) is 6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide is CCC(NC(=O)c1c[nH]c(C)cc1=O)c1nccs1.
What is the InChIKey of 6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide?
The InChIKey is AZTQMSRKMNGWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-10(13-14-4-5-19-13)16-12(18)9-7-15-8(2)6-11(9)17/h4-7,10H,3H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.02, 4 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-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103718209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).