N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide

C11H16N2OS — CID 47038893

IUPACN-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1SC(C)C
InChIInChI=1S/C11H16N2OS/c1-4-12-10(14)9-6-5-7-13-11(9)15-8(2)3/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeyQHWFRKUVSWOOFE-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.33
Rot. Bonds4

About N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide

N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide (PubChem CID 47038893) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
PubChem CID47038893
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1SC(C)C
InChIInChI=1S/C11H16N2OS/c1-4-12-10(14)9-6-5-7-13-11(9)15-8(2)3/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeyQHWFRKUVSWOOFE-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide (CID 47038893) is N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide is CCNC(=O)c1cccnc1SC(C)C.
What is the InChIKey of N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The InChIKey is QHWFRKUVSWOOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-4-12-10(14)9-6-5-7-13-11(9)15-8(2)3/h5-8H,4H2,1-3H3,(H,12,14).
What are the key properties of N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 47038893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).