3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide

C18H24N4O2S — CID 39947867

IUPAC3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N
InChIInChI=1S/C18H24N4O2S/c1-5-22(6-2)16(23)11-21(3)18(24)13-9-15(12-7-8-12)20-17(25-4)14(13)10-19/h9,12H,5-8,11H2,1-4H3
InChIKeyWNBMNHBOZDRLJG-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.49
Rot. Bonds7

About 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide

3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide (PubChem CID 39947867) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide
PubChem CID39947867
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N
InChIInChI=1S/C18H24N4O2S/c1-5-22(6-2)16(23)11-21(3)18(24)13-9-15(12-7-8-12)20-17(25-4)14(13)10-19/h9,12H,5-8,11H2,1-4H3
InChIKeyWNBMNHBOZDRLJG-UHFFFAOYSA-N
XLogP2.49
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide?
The IUPAC name of 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide (CID 39947867) is 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide.
What is the SMILES notation for 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide?
The canonical SMILES for 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N.
What is the InChIKey of 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide?
The InChIKey is WNBMNHBOZDRLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-5-22(6-2)16(23)11-21(3)18(24)13-9-15(12-7-8-12)20-17(25-4)14(13)10-19/h9,12H,5-8,11H2,1-4H3.
What are the key properties of 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide?
3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-methylsulfanylpyridine-4-carboxamide is sourced from PubChem (CID 39947867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).