6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide

C13H15N3O2S — CID 103737188

IUPAC6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)c2ncc(C)s2)c[nH]1
InChIInChI=1S/C13H15N3O2S/c1-7-4-11(17)10(6-14-7)12(18)16-9(3)13-15-5-8(2)19-13/h4-6,9H,1-3H3,(H,14,17)(H,16,18)
InChIKeyHGJLKFYFJWEEKB-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.94
Rot. Bonds3

About 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103737188) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103737188
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C)c2ncc(C)s2)c[nH]1
InChIInChI=1S/C13H15N3O2S/c1-7-4-11(17)10(6-14-7)12(18)16-9(3)13-15-5-8(2)19-13/h4-6,9H,1-3H3,(H,14,17)(H,16,18)
InChIKeyHGJLKFYFJWEEKB-UHFFFAOYSA-N
XLogP1.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103737188) is 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(C)c2ncc(C)s2)c[nH]1.
What is the InChIKey of 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HGJLKFYFJWEEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-4-11(17)10(6-14-7)12(18)16-9(3)13-15-5-8(2)19-13/h4-6,9H,1-3H3,(H,14,17)(H,16,18).
What are the key properties of 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103737188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).