6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide

C19H24N2O2S — CID 50951110

IUPAC6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)c1cc(C)c(CC)n(C)c1=O
InChIInChI=1S/C19H24N2O2S/c1-6-10-21(12-15-9-8-14(4)24-15)19(23)16-11-13(3)17(7-2)20(5)18(16)22/h6,8-9,11H,1,7,10,12H2,2-5H3
InChIKeyKQJKLSPVSBWGCJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.45
Rot. Bonds6

About 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide

6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 50951110) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide
PubChem CID50951110
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)c1cc(C)c(CC)n(C)c1=O
InChIInChI=1S/C19H24N2O2S/c1-6-10-21(12-15-9-8-14(4)24-15)19(23)16-11-13(3)17(7-2)20(5)18(16)22/h6,8-9,11H,1,7,10,12H2,2-5H3
InChIKeyKQJKLSPVSBWGCJ-UHFFFAOYSA-N
XLogP3.45
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide (CID 50951110) is 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide is C=CCN(Cc1ccc(C)s1)C(=O)c1cc(C)c(CC)n(C)c1=O.
What is the InChIKey of 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is KQJKLSPVSBWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-6-10-21(12-15-9-8-14(4)24-15)19(23)16-11-13(3)17(7-2)20(5)18(16)22/h6,8-9,11H,1,7,10,12H2,2-5H3.
What are the key properties of 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide?
6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 50951110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).