2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide

C17H17N3OS — CID 3273373

IUPAC2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
SMILESCc1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C)c1C
InChIInChI=1S/C17H17N3OS/c1-10-11(2)14(9-18)17(20-12(10)3)22-15(16(19)21)13-7-5-4-6-8-13/h4-8,15H,1-3H3,(H2,19,21)
InChIKeyAHNSVLXRPVZMJI-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.20
Rot. Bonds4

About 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide (PubChem CID 3273373) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
PubChem CID3273373
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
SMILESCc1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C)c1C
InChIInChI=1S/C17H17N3OS/c1-10-11(2)14(9-18)17(20-12(10)3)22-15(16(19)21)13-7-5-4-6-8-13/h4-8,15H,1-3H3,(H2,19,21)
InChIKeyAHNSVLXRPVZMJI-UHFFFAOYSA-N
XLogP3.20
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
The IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide (CID 3273373) is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide is Cc1nc(SC(C(N)=O)c2ccccc2)c(C#N)c(C)c1C.
What is the InChIKey of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
The InChIKey is AHNSVLXRPVZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-10-11(2)14(9-18)17(20-12(10)3)22-15(16(19)21)13-7-5-4-6-8-13/h4-8,15H,1-3H3,(H2,19,21).
What are the key properties of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide has a molecular weight of 311.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 3273373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).