2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide

C15H19N3OS — CID 86997503

IUPAC2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)Sc1cc(C#N)ccn1
InChIInChI=1S/C15H19N3OS/c1-5-18(10-11(2)3)15(19)12(4)20-14-8-13(9-16)6-7-17-14/h6-8,12H,2,5,10H2,1,3-4H3
InChIKeyZLMFXUFXUQSHAC-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.86
Rot. Bonds6

About 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide

2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 86997503) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID86997503
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)Sc1cc(C#N)ccn1
InChIInChI=1S/C15H19N3OS/c1-5-18(10-11(2)3)15(19)12(4)20-14-8-13(9-16)6-7-17-14/h6-8,12H,2,5,10H2,1,3-4H3
InChIKeyZLMFXUFXUQSHAC-UHFFFAOYSA-N
XLogP2.86
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-3-oxopentan-2-yl]sulfanylpyridine-4-carbonitrile
CID 97313043
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide
CID 86997502
2-[(2S)-1-oxo-1-phenylpropan-2-yl]sulfanylpyridine-4-carbonitrile
CID 95634366
2-[(4-cyano-2-pyridinyl)sulfanyl]hexanoic acid
CID 107778906
(2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 129370764
3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 24697009
(2S)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-(4-methylsulfanylphenyl)propanamide
CID 129370832
2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile
CID 103747842
2-(4-chlorobutan-2-ylsulfanyl)pyridine-4-carbonitrile
CID 66136310
(2S)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 129370831
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 122140434
6-[1-(diethylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylic acid
CID 61304773

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide (CID 86997503) is 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CN(CC)C(=O)C(C)Sc1cc(C#N)ccn1.
What is the InChIKey of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is ZLMFXUFXUQSHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-5-18(10-11(2)3)15(19)12(4)20-14-8-13(9-16)6-7-17-14/h6-8,12H,2,5,10H2,1,3-4H3.
What are the key properties of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 289.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 86997503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).