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

C17H16ClN5O2S — CID 7614073

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
SMILESC[C@H](SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H16ClN5O2S/c1-9(14(24)22-13-5-4-10(18)8-21-13)26-16-12(7-20)17(2,3)11(6-19)15(25)23-16/h4-5,8-9,11H,1-3H3,(H,23,25)(H,21,22,24)/t9-,11+/m0/s1
InChIKeyVMFPNCIRTMXYTK-GXSJLCMTSA-N
MW389.87 g/mol
LogP2.83
Rot. Bonds4

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

(2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide (PubChem CID 7614073) has the molecular formula C17H16ClN5O2S and a molecular weight of 389.87 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
PubChem CID7614073
Molecular FormulaC17H16ClN5O2S
Molecular Weight389.87 g/mol
Exact Mass389.07
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
SMILESC[C@H](SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H16ClN5O2S/c1-9(14(24)22-13-5-4-10(18)8-21-13)26-16-12(7-20)17(2,3)11(6-19)15(25)23-16/h4-5,8-9,11H,1-3H3,(H,23,25)(H,21,22,24)/t9-,11+/m0/s1
InChIKeyVMFPNCIRTMXYTK-GXSJLCMTSA-N
XLogP2.83
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide with MolForge

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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
(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 7637162
(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
(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 25402033
(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)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide
CID 8807026
(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-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(2S)-2-phenylpropyl]propanamide
CID 8806824
(2S)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 40797731
(2R)-2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7955121
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide
CID 7491560
(2R)-2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7989573

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide?
The IUPAC name of (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) is (2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide is C[C@H](SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide?
The InChIKey is VMFPNCIRTMXYTK-GXSJLCMTSA-N. The full InChI is InChI=1S/C17H16ClN5O2S/c1-9(14(24)22-13-5-4-10(18)8-21-13)26-16-12(7-20)17(2,3)11(6-19)15(25)23-16/h4-5,8-9,11H,1-3H3,(H,23,25)(H,21,22,24)/t9-,11+/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide has a molecular weight of 389.87 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide is sourced from PubChem (CID 7614073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).