(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide

C15H16ClN3O — CID 104984746

IUPAC(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1cnccc1Cl
InChIInChI=1S/C15H16ClN3O/c16-12-8-9-18-10-14(12)19-15(20)13(17)7-6-11-4-2-1-3-5-11/h1-5,8-10,13H,6-7,17H2,(H,19,20)/t13-/m0/s1
InChIKeyCNYIKSSXYUADBP-ZDUSSCGKSA-N
MW289.77 g/mol
LogP2.63
Rot. Bonds5

About (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide

(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide (PubChem CID 104984746) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
PubChem CID104984746
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1cnccc1Cl
InChIInChI=1S/C15H16ClN3O/c16-12-8-9-18-10-14(12)19-15(20)13(17)7-6-11-4-2-1-3-5-11/h1-5,8-10,13H,6-7,17H2,(H,19,20)/t13-/m0/s1
InChIKeyCNYIKSSXYUADBP-ZDUSSCGKSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
CID 114929090
(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
CID 104984882
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide
CID 114955951
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 78984805
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-phenylbutanamide
CID 166260300
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide (CID 104984746) is (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)Nc1cnccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide?
The InChIKey is CNYIKSSXYUADBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-8-9-18-10-14(12)19-15(20)13(17)7-6-11-4-2-1-3-5-11/h1-5,8-10,13H,6-7,17H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide?
(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide has a molecular weight of 289.77 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide is sourced from PubChem (CID 104984746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).