4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide

C11H16N2OS — CID 2906254

IUPAC4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(C)cc(C)c1C(N)=O
InChIInChI=1S/C11H16N2OS/c1-4-5-15-11-9(10(12)14)7(2)6-8(3)13-11/h6H,4-5H2,1-3H3,(H2,12,14)
InChIKeyFBZDTHNFCBNMRL-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.30
Rot. Bonds4

About 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide

4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 2906254) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide
PubChem CID2906254
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1nc(C)cc(C)c1C(N)=O
InChIInChI=1S/C11H16N2OS/c1-4-5-15-11-9(10(12)14)7(2)6-8(3)13-11/h6H,4-5H2,1-3H3,(H2,12,14)
InChIKeyFBZDTHNFCBNMRL-UHFFFAOYSA-N
XLogP2.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide (CID 2906254) is 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide is CCCSc1nc(C)cc(C)c1C(N)=O.
What is the InChIKey of 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is FBZDTHNFCBNMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-4-5-15-11-9(10(12)14)7(2)6-8(3)13-11/h6H,4-5H2,1-3H3,(H2,12,14).
What are the key properties of 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide?
4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2906254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).