(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide

C18H17FN4O2S — CID 7637162

IUPAC(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](SC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c1-10(15(24)22-12-6-4-11(19)5-7-12)26-17-14(9-21)18(2,3)13(8-20)16(25)23-17/h4-7,10,13H,1-3H3,(H,22,24)(H,23,25)/t10-,13+/m1/s1
InChIKeyIABUTJGXXYOVCV-MFKMUULPSA-N
MW372.43 g/mol
LogP2.92
Rot. Bonds4

About (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide

(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide (PubChem CID 7637162) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
PubChem CID7637162
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](SC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2S/c1-10(15(24)22-12-6-4-11(19)5-7-12)26-17-14(9-21)18(2,3)13(8-20)16(25)23-17/h4-7,10,13H,1-3H3,(H,22,24)(H,23,25)/t10-,13+/m1/s1
InChIKeyIABUTJGXXYOVCV-MFKMUULPSA-N
XLogP2.92
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
CID 7613861
(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 25402033
(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide
CID 8806992
(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide
CID 8807026
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
CID 7637123
2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 7613643
(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8806826
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
CID 7614073
(2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
CID 8806994
4-[[2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetyl]amino]benzamide
CID 7637013
2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide
CID 8679264
(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 7743579

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide (CID 7637162) is (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide is C[C@@H](SC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide?
The InChIKey is IABUTJGXXYOVCV-MFKMUULPSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-10(15(24)22-12-6-4-11(19)5-7-12)26-17-14(9-21)18(2,3)13(8-20)16(25)23-17/h4-7,10,13H,1-3H3,(H,22,24)(H,23,25)/t10-,13+/m1/s1.
What are the key properties of (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide?
(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide has a molecular weight of 372.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 7637162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).