N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C13H14N2O2S — CID 114040323

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H14N2O2S/c1-9-6-7-18-11(9)8-15(2)13(17)10-4-3-5-12(16)14-10/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyHFOAJSKCUMJYTC-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040323) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040323
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H14N2O2S/c1-9-6-7-18-11(9)8-15(2)13(17)10-4-3-5-12(16)14-10/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyHFOAJSKCUMJYTC-UHFFFAOYSA-N
XLogP2.02
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 107261420
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39951443
N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 46961703
N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 29049954
2,5-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114917417
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 114040323) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is Cc1ccsc1CN(C)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is HFOAJSKCUMJYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-6-7-18-11(9)8-15(2)13(17)10-4-3-5-12(16)14-10/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).