(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide

C15H17N3O — CID 54173969

IUPAC(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
SMILESCc1ncccc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H17N3O/c1-11-14(8-5-9-17-11)18-15(19)13(16)10-12-6-3-2-4-7-12/h2-9,13H,10,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyOWYSMSGDRRZWLF-ZDUSSCGKSA-N
MW255.32 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide

(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide (PubChem CID 54173969) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
PubChem CID54173969
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
SMILESCc1ncccc1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H17N3O/c1-11-14(8-5-9-17-11)18-15(19)13(16)10-12-6-3-2-4-7-12/h2-9,13H,10,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyOWYSMSGDRRZWLF-ZDUSSCGKSA-N
XLogP1.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-benzyl-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79042897
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
(2S)-2-amino-N-(1-methylimidazol-2-yl)-3-phenylpropanamide
CID 15837349
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide (CID 54173969) is (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide is Cc1ncccc1NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide?
The InChIKey is OWYSMSGDRRZWLF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-14(8-5-9-17-11)18-15(19)13(16)10-12-6-3-2-4-7-12/h2-9,13H,10,16H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 54173969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).