2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide

C14H19N3OS — CID 86997502

IUPAC2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1cc(C#N)ccn1
InChIInChI=1S/C14H19N3OS/c1-4-5-10(2)17-14(18)11(3)19-13-8-12(9-15)6-7-16-13/h6-8,10-11H,4-5H2,1-3H3,(H,17,18)
InChIKeyUBJHUFTZIDSLIT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.74
Rot. Bonds6

About 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide

2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide (PubChem CID 86997502) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide
PubChem CID86997502
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1cc(C#N)ccn1
InChIInChI=1S/C14H19N3OS/c1-4-5-10(2)17-14(18)11(3)19-13-8-12(9-15)6-7-16-13/h6-8,10-11H,4-5H2,1-3H3,(H,17,18)
InChIKeyUBJHUFTZIDSLIT-UHFFFAOYSA-N
XLogP2.74
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-3-oxopentan-2-yl]sulfanylpyridine-4-carbonitrile
CID 97313043
(2R)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 129370764
(2S)-2-[(4-cyano-2-pyridinyl)sulfanyl]-N-(4-methylsulfanylphenyl)propanamide
CID 129370832
2-[(4-cyano-2-pyridinyl)sulfanyl]hexanoic acid
CID 107778906
2-[(2S)-1-oxo-1-phenylpropan-2-yl]sulfanylpyridine-4-carbonitrile
CID 95634366
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 86997503
(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
2-(4-chlorobutan-2-ylsulfanyl)pyridine-4-carbonitrile
CID 66136310
2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide
CID 107663138
2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43113543
ethyl (3S)-1-[(2S)-2-[(4-cyano-2-pyridinyl)sulfanyl]propanoyl]piperidine-3-carboxylate
CID 129488479

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide (CID 86997502) is 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Sc1cc(C#N)ccn1.
What is the InChIKey of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide?
The InChIKey is UBJHUFTZIDSLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-5-10(2)17-14(18)11(3)19-13-8-12(9-15)6-7-16-13/h6-8,10-11H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide?
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-pyridinyl)sulfanyl]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 86997502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).