(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide

C19H24N4OS — CID 25396381

IUPAC(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C19H24N4OS/c1-15(25-17-6-4-3-5-7-17)19(24)21-16-8-9-18(20-14-16)23-12-10-22(2)11-13-23/h3-9,14-15H,10-13H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyAALVALKUBPTQRM-OAHLLOKOSA-N
MW356.50 g/mol
LogP2.95
Rot. Bonds5

About (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide

(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide (PubChem CID 25396381) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
PubChem CID25396381
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C19H24N4OS/c1-15(25-17-6-4-3-5-7-17)19(24)21-16-8-9-18(20-14-16)23-12-10-22(2)11-13-23/h3-9,14-15H,10-13H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyAALVALKUBPTQRM-OAHLLOKOSA-N
XLogP2.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 25396956
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide
CID 25484039
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 17459411
(2S)-2-(4-tert-butylphenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 25396972
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide
CID 42297885
N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42933399
N-[3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24610805

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide (CID 25396381) is (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide is C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide?
The InChIKey is AALVALKUBPTQRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-15(25-17-6-4-3-5-7-17)19(24)21-16-8-9-18(20-14-16)23-12-10-22(2)11-13-23/h3-9,14-15H,10-13H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide?
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide has a molecular weight of 356.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 25396381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).