(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

C15H17N3OS — CID 78973407

IUPAC(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C15H17N3OS/c1-11(16)15(19)18-13-4-6-14(7-5-13)20-10-12-3-2-8-17-9-12/h2-9,11H,10,16H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyAGHNZOMCUGNDOS-LLVKDONJSA-N
MW287.39 g/mol
LogP2.66
Rot. Bonds5

About (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide (PubChem CID 78973407) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
PubChem CID78973407
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C15H17N3OS/c1-11(16)15(19)18-13-4-6-14(7-5-13)20-10-12-3-2-8-17-9-12/h2-9,11H,10,16H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyAGHNZOMCUGNDOS-LLVKDONJSA-N
XLogP2.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068
3-chloro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 62727163
2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 46668908
(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide
CID 167600345
2-(2-bromo-4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 55773051
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
CID 24644970
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzofuran-2-carboxamide
CID 55929053
2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 55465757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide (CID 78973407) is (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide is C[C@@H](N)C(=O)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
The InChIKey is AGHNZOMCUGNDOS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11(16)15(19)18-13-4-6-14(7-5-13)20-10-12-3-2-8-17-9-12/h2-9,11H,10,16H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide?
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide has a molecular weight of 287.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 78973407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).