N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide

C19H20N4O2S — CID 51236112

IUPACN-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1cc(C)c(C#N)c(SC(C)C(=O)NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C19H20N4O2S/c1-12-9-13(2)22-18(16(12)10-20)26-14(3)17(24)23-19(25)21-11-15-7-5-4-6-8-15/h4-9,14H,11H2,1-3H3,(H2,21,23,24,25)
InChIKeyPAYWJUFDURYNQM-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.08
Rot. Bonds5

About N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide

N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 51236112) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID51236112
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1cc(C)c(C#N)c(SC(C)C(=O)NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C19H20N4O2S/c1-12-9-13(2)22-18(16(12)10-20)26-14(3)17(24)23-19(25)21-11-15-7-5-4-6-8-15/h4-9,14H,11H2,1-3H3,(H2,21,23,24,25)
InChIKeyPAYWJUFDURYNQM-UHFFFAOYSA-N
XLogP3.08
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(benzylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
CID 8512732
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanoic acid
CID 5175428
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 46624921
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 42981996
N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 46789422
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)propanamide
CID 134037737
(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-cyclopropylpropanamide
CID 40552290
(2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-cyclopropylpropanamide
CID 40552292
(2R)-N-(benzylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 8985972
N-(benzylcarbamoyl)-2-methylsulfanylpropanamide
CID 47263081
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
CID 51209606
N-(benzylcarbamoyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51236143

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide (CID 51236112) is N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide is Cc1cc(C)c(C#N)c(SC(C)C(=O)NC(=O)NCc2ccccc2)n1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is PAYWJUFDURYNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-9-13(2)22-18(16(12)10-20)26-14(3)17(24)23-19(25)21-11-15-7-5-4-6-8-15/h4-9,14H,11H2,1-3H3,(H2,21,23,24,25).
What are the key properties of N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide?
N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 51236112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).