(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide

C18H20N6OS — CID 27945102

IUPAC(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide
SMILESC[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C18H20N6OS/c1-12(17(25)24(2)18(11-21)6-4-3-5-7-18)26-16-14(10-20)8-13(9-19)15(22)23-16/h8,12H,3-7H2,1-2H3,(H2,22,23)/t12-/m0/s1
InChIKeyXKPIIPRPLPCANG-LBPRGKRZSA-N
MW368.47 g/mol
LogP2.57
Rot. Bonds4

About (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide

(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide (PubChem CID 27945102) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide
PubChem CID27945102
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide
SMILESC[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C18H20N6OS/c1-12(17(25)24(2)18(11-21)6-4-3-5-7-18)26-16-14(10-20)8-13(9-19)15(22)23-16/h8,12H,3-7H2,1-2H3,(H2,22,23)/t12-/m0/s1
InChIKeyXKPIIPRPLPCANG-LBPRGKRZSA-N
XLogP2.57
TPSA130.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 8959675
(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890260
(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8725954
(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8725947
2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
CID 61215479
(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
CID 7131211
(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889574
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 8940644
(2R)-N-(1-cyanocyclohexyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide
CID 8972220
(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889714
(2R)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(3-fluorophenyl)propanamide
CID 8940726
2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 106678918

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide (CID 27945102) is (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide is C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide?
The InChIKey is XKPIIPRPLPCANG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12(17(25)24(2)18(11-21)6-4-3-5-7-18)26-16-14(10-20)8-13(9-19)15(22)23-16/h8,12H,3-7H2,1-2H3,(H2,22,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide?
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide has a molecular weight of 368.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 27945102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).