4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide

C15H24N2O2S — CID 75390162

IUPAC4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCCCSCC(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N2O2S/c1-10(2)9-20-7-5-6-16-14(18)13-11(3)8-12(4)17-15(13)19/h8,10H,5-7,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyMFHOXXBZECJPSN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.50
Rot. Bonds7

About 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 75390162) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID75390162
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCCCSCC(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N2O2S/c1-10(2)9-20-7-5-6-16-14(18)13-11(3)8-12(4)17-15(13)19/h8,10H,5-7,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyMFHOXXBZECJPSN-UHFFFAOYSA-N
XLogP2.50
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide (CID 75390162) is 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCCCSCC(C)C)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MFHOXXBZECJPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(2)9-20-7-5-6-16-14(18)13-11(3)8-12(4)17-15(13)19/h8,10H,5-7,9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-(2-methylpropylsulfanyl)propyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75390162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).