4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide

C17H18N2OS — CID 8005735

IUPAC4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
SMILESC=CCSc1nc(C)cc(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-4-10-21-17-15(12(2)11-13(3)18-17)16(20)19-14-8-6-5-7-9-14/h4-9,11H,1,10H2,2-3H3,(H,19,20)
InChIKeyKVTIEQXAZWFQBV-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.23
Rot. Bonds5

About 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide

4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide (PubChem CID 8005735) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
PubChem CID8005735
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
SMILESC=CCSc1nc(C)cc(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-4-10-21-17-15(12(2)11-13(3)18-17)16(20)19-14-8-6-5-7-9-14/h4-9,11H,1,10H2,2-3H3,(H,19,20)
InChIKeyKVTIEQXAZWFQBV-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide (CID 8005735) is 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide is C=CCSc1nc(C)cc(C)c1C(=O)Nc1ccccc1.
What is the InChIKey of 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide?
The InChIKey is KVTIEQXAZWFQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-4-10-21-17-15(12(2)11-13(3)18-17)16(20)19-14-8-6-5-7-9-14/h4-9,11H,1,10H2,2-3H3,(H,19,20).
What are the key properties of 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide?
4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-phenyl-2-prop-2-enylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 8005735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).