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

C11H11N3O2S — CID 113257333

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1nc(CNC(=O)c2cc[nH]c(=O)c2)cs1
InChIInChI=1S/C11H11N3O2S/c1-7-14-9(6-17-7)5-13-11(16)8-2-3-12-10(15)4-8/h2-4,6H,5H2,1H3,(H,12,15)(H,13,16)
InChIKeyBOFXTGPKYZFYOW-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.07
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 113257333) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID113257333
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1nc(CNC(=O)c2cc[nH]c(=O)c2)cs1
InChIInChI=1S/C11H11N3O2S/c1-7-14-9(6-17-7)5-13-11(16)8-2-3-12-10(15)4-8/h2-4,6H,5H2,1H3,(H,12,15)(H,13,16)
InChIKeyBOFXTGPKYZFYOW-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 ≤ 500249.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 47290936
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 60778936
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107025625
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
N-[(6-methoxy-2-pyridinyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138041888
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290705
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 113257333) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is Cc1nc(CNC(=O)c2cc[nH]c(=O)c2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is BOFXTGPKYZFYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-14-9(6-17-7)5-13-11(16)8-2-3-12-10(15)4-8/h2-4,6H,5H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 249.30 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 N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 113257333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).