(2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide

C17H17ClN4OS — CID 7491560

IUPAC(2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C#N)c(C)c1C
InChIInChI=1S/C17H17ClN4OS/c1-9-10(2)14(7-19)17(21-11(9)3)24-12(4)16(23)22-15-6-5-13(18)8-20-15/h5-6,8,12H,1-4H3,(H,20,22,23)/t12-/m1/s1
InChIKeyFXWBFKFGZRSADR-GFCCVEGCSA-N
MW360.87 g/mol
LogP4.05
Rot. Bonds4

About (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide

(2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 7491560) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID7491560
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name(2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C#N)c(C)c1C
InChIInChI=1S/C17H17ClN4OS/c1-9-10(2)14(7-19)17(21-11(9)3)24-12(4)16(23)22-15-6-5-13(18)8-20-15/h5-6,8,12H,1-4H3,(H,20,22,23)/t12-/m1/s1
InChIKeyFXWBFKFGZRSADR-GFCCVEGCSA-N
XLogP4.05
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 43024330
(2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 7491528
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 40663409
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2630257
(2S)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 2603225
N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 18083179
(2S)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 40797731
(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
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25036410
N-(5-chloro-2-pyridinyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 78285132

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide (CID 7491560) is (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide is Cc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C#N)c(C)c1C.
What is the InChIKey of (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is FXWBFKFGZRSADR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-9-10(2)14(7-19)17(21-11(9)3)24-12(4)16(23)22-15-6-5-13(18)8-20-15/h5-6,8,12H,1-4H3,(H,20,22,23)/t12-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide?
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 360.87 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 7491560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).