(2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide

C17H19N5OS — CID 41013541

IUPAC(2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)cc(N)c1C#N
InChIInChI=1S/C17H19N5OS/c1-9-5-4-6-10(2)15(9)22-16(23)11(3)24-17-12(8-18)13(19)7-14(20)21-17/h4-7,11H,1-3H3,(H,22,23)(H4,19,20,21)/t11-/m1/s1
InChIKeyYUXDFNYHVPJBCF-LLVKDONJSA-N
MW341.44 g/mol
LogP2.85
Rot. Bonds4

About (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide

(2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 41013541) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
PubChem CID41013541
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name(2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)cc(N)c1C#N
InChIInChI=1S/C17H19N5OS/c1-9-5-4-6-10(2)15(9)22-16(23)11(3)24-17-12(8-18)13(19)7-14(20)21-17/h4-7,11H,1-3H3,(H,22,23)(H4,19,20,21)/t11-/m1/s1
InChIKeyYUXDFNYHVPJBCF-LLVKDONJSA-N
XLogP2.85
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 8985929
2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 3165382
2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55423113
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 46624921
(2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 40552281
(2S)-N-(2,6-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 864861
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 42981996
(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 7761820
(2S)-N-(2,6-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734738
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 60594153
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 78831031

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide (CID 41013541) is (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)cc(N)c1C#N.
What is the InChIKey of (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is YUXDFNYHVPJBCF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-9-5-4-6-10(2)15(9)22-16(23)11(3)24-17-12(8-18)13(19)7-14(20)21-17/h4-7,11H,1-3H3,(H,22,23)(H4,19,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide?
(2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 341.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 41013541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).