(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide

C12H14N4OS — CID 38951277

IUPAC(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESCS[C@H](C)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C12H14N4OS/c1-9(18-2)12(17)15-10-4-5-11(13-8-10)16-7-3-6-14-16/h3-9H,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyWKXUNUYTMSOZLX-SECBINFHSA-N
MW262.34 g/mol
LogP1.96
Rot. Bonds4

About (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide

(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide (PubChem CID 38951277) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
PubChem CID38951277
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESCS[C@H](C)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C12H14N4OS/c1-9(18-2)12(17)15-10-4-5-11(13-8-10)16-7-3-6-14-16/h3-9H,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyWKXUNUYTMSOZLX-SECBINFHSA-N
XLogP1.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119842780
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94166977
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 154787168
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The IUPAC name of (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide (CID 38951277) is (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide is CS[C@H](C)C(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The InChIKey is WKXUNUYTMSOZLX-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-9(18-2)12(17)15-10-4-5-11(13-8-10)16-7-3-6-14-16/h3-9H,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide has a molecular weight of 262.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 38951277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).