N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide

C16H20N2O3S — CID 50955298

IUPACN-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCOCCN(Cc1sccc1C)C(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C16H20N2O3S/c1-11-4-7-22-14(11)10-18(5-6-21-3)16(20)13-8-12(2)17-15(19)9-13/h4,7-9H,5-6,10H2,1-3H3,(H,17,19)
InChIKeyBBEZNLRXWCUHAJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.34
Rot. Bonds6

About N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide

N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 50955298) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID50955298
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCOCCN(Cc1sccc1C)C(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C16H20N2O3S/c1-11-4-7-22-14(11)10-18(5-6-21-3)16(20)13-8-12(2)17-15(19)9-13/h4,7-9H,5-6,10H2,1-3H3,(H,17,19)
InChIKeyBBEZNLRXWCUHAJ-UHFFFAOYSA-N
XLogP2.34
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5-dichloro-N-(2-methoxyethyl)benzamide
CID 42776528
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3549449
4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 5077236
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
CID 4098607
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide
CID 4141373
3,5-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4118603
N-(2-methoxyethyl)-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135909619
N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 46996185
4,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 50969529
2-[butylcarbamoyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3644659
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3494368
N-benzyl-2-[butylcarbamoyl(2-methoxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4687290

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide (CID 50955298) is N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide is COCCN(Cc1sccc1C)C(=O)c1cc(C)[nH]c(=O)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is BBEZNLRXWCUHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-4-7-22-14(11)10-18(5-6-21-3)16(20)13-8-12(2)17-15(19)9-13/h4,7-9H,5-6,10H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide?
N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 50955298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).