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

C17H23N3O2S — CID 46986065

IUPACN-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCN(C)C)Cc2sccc2C)c(=O)[nH]1
InChIInChI=1S/C17H23N3O2S/c1-12-7-10-23-15(12)11-20(9-8-19(3)4)17(22)14-6-5-13(2)18-16(14)21/h5-7,10H,8-9,11H2,1-4H3,(H,18,21)
InChIKeyZKNVUEINRKFLQI-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.26
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 46986065) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID46986065
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCN(C)C)Cc2sccc2C)c(=O)[nH]1
InChIInChI=1S/C17H23N3O2S/c1-12-7-10-23-15(12)11-20(9-8-19(3)4)17(22)14-6-5-13(2)18-16(14)21/h5-7,10H,8-9,11H2,1-4H3,(H,18,21)
InChIKeyZKNVUEINRKFLQI-UHFFFAOYSA-N
XLogP2.26
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 46986065) is N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N(CCN(C)C)Cc2sccc2C)c(=O)[nH]1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZKNVUEINRKFLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-7-10-23-15(12)11-20(9-8-19(3)4)17(22)14-6-5-13(2)18-16(14)21/h5-7,10H,8-9,11H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46986065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).