(2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide

C16H19N3O2 — CID 104984764

IUPAC(2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide
SMILESCc1ccc(O)c(NC(=O)[C@@H](N)CCc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-11-7-10-14(20)15(18-11)19-16(21)13(17)9-8-12-5-3-2-4-6-12/h2-7,10,13,20H,8-9,17H2,1H3,(H,18,19,21)/t13-/m0/s1
InChIKeyDDZVEVGJLBRDFZ-ZDUSSCGKSA-N
MW285.35 g/mol
LogP1.99
Rot. Bonds5

About (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide

(2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide (PubChem CID 104984764) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide
PubChem CID104984764
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide
SMILESCc1ccc(O)c(NC(=O)[C@@H](N)CCc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-11-7-10-14(20)15(18-11)19-16(21)13(17)9-8-12-5-3-2-4-6-12/h2-7,10,13,20H,8-9,17H2,1H3,(H,18,19,21)/t13-/m0/s1
InChIKeyDDZVEVGJLBRDFZ-ZDUSSCGKSA-N
XLogP1.99
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905499
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
CID 114929424
(2S)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-phenylbutanamide
CID 104984747
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide
CID 104984517
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
CID 102805533
2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
CID 114927077
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
CID 114927368
(2S)-2-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 104984259
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide (CID 104984764) is (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide is Cc1ccc(O)c(NC(=O)[C@@H](N)CCc2ccccc2)n1.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide?
The InChIKey is DDZVEVGJLBRDFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-7-10-14(20)15(18-11)19-16(21)13(17)9-8-12-5-3-2-4-6-12/h2-7,10,13,20H,8-9,17H2,1H3,(H,18,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide?
(2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide has a molecular weight of 285.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-4-phenylbutanamide is sourced from PubChem (CID 104984764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).