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

C13H15N3O2S — CID 47076981

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)c2ccc[nH]c2=O)cs1
InChIInChI=1S/C13H15N3O2S/c1-3-11-15-9(8-19-11)7-16(2)13(18)10-5-4-6-14-12(10)17/h4-6,8H,3,7H2,1-2H3,(H,14,17)
InChIKeyMMHGWIGGANJSRV-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.67
Rot. Bonds4

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 47076981) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID47076981
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)c2ccc[nH]c2=O)cs1
InChIInChI=1S/C13H15N3O2S/c1-3-11-15-9(8-19-11)7-16(2)13(18)10-5-4-6-14-12(10)17/h4-6,8H,3,7H2,1-2H3,(H,14,17)
InChIKeyMMHGWIGGANJSRV-UHFFFAOYSA-N
XLogP1.67
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 47076981) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is CCc1nc(CN(C)C(=O)c2ccc[nH]c2=O)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MMHGWIGGANJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-11-15-9(8-19-11)7-16(2)13(18)10-5-4-6-14-12(10)17/h4-6,8H,3,7H2,1-2H3,(H,14,17).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47076981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).