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

C19H27N3OS — CID 7491538

IUPAC(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide
SMILESCc1nc(S[C@H](C)C(=O)NCC2CCCCC2)c(C#N)c(C)c1C
InChIInChI=1S/C19H27N3OS/c1-12-13(2)17(10-20)19(22-14(12)3)24-15(4)18(23)21-11-16-8-6-5-7-9-16/h15-16H,5-9,11H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyFNBYOFQDISMEBC-OAHLLOKOSA-N
MW345.51 g/mol
LogP4.06
Rot. Bonds5

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

(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide (PubChem CID 7491538) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide
PubChem CID7491538
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide
SMILESCc1nc(S[C@H](C)C(=O)NCC2CCCCC2)c(C#N)c(C)c1C
InChIInChI=1S/C19H27N3OS/c1-12-13(2)17(10-20)19(22-14(12)3)24-15(4)18(23)21-11-16-8-6-5-7-9-16/h15-16H,5-9,11H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyFNBYOFQDISMEBC-OAHLLOKOSA-N
XLogP4.06
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R)-N-(cyclohexylmethyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 51952067
4,5,6-trimethyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylpyridine-3-carbonitrile
CID 17451527
(2S)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 9274136
(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 27140282
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]propanamide
CID 7491560
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262938
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
N-(cyclohexylmethyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46692270
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 7491456
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylmethyl)propanamide
CID 78765007

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide (CID 7491538) is (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide is Cc1nc(S[C@H](C)C(=O)NCC2CCCCC2)c(C#N)c(C)c1C.
What is the InChIKey of (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
The InChIKey is FNBYOFQDISMEBC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-12-13(2)17(10-20)19(22-14(12)3)24-15(4)18(23)21-11-16-8-6-5-7-9-16/h15-16H,5-9,11H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide?
(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide has a molecular weight of 345.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 7491538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).