N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

C19H19N5OS — CID 46301929

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2c(C#N)cnn2C)nc2c(C)cccc12
InChIInChI=1S/C19H19N5OS/c1-11-6-5-7-15-12(2)8-16(22-17(11)15)26-13(3)19(25)23-18-14(9-20)10-21-24(18)4/h5-8,10,13H,1-4H3,(H,23,25)
InChIKeyPUSZDXGMPHNRJE-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.58
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (PubChem CID 46301929) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
PubChem CID46301929
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2c(C#N)cnn2C)nc2c(C)cccc12
InChIInChI=1S/C19H19N5OS/c1-11-6-5-7-15-12(2)8-16(22-17(11)15)26-13(3)19(25)23-18-14(9-20)10-21-24(18)4/h5-8,10,13H,1-4H3,(H,23,25)
InChIKeyPUSZDXGMPHNRJE-UHFFFAOYSA-N
XLogP3.58
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46301764
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7743647
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7743628

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (CID 46301929) is N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)Nc2c(C#N)cnn2C)nc2c(C)cccc12.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is PUSZDXGMPHNRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-11-6-5-7-15-12(2)8-16(22-17(11)15)26-13(3)19(25)23-18-14(9-20)10-21-24(18)4/h5-8,10,13H,1-4H3,(H,23,25).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 365.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46301929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).