(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide

C16H19N3O2 — CID 104984023

IUPAC(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
SMILESCn1cc(NC(=O)[C@@H](N)CCc2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-19-11-13(8-10-15(19)20)18-16(21)14(17)9-7-12-5-3-2-4-6-12/h2-6,8,10-11,14H,7,9,17H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyNOFQIBYGOWKIBG-AWEZNQCLSA-N
MW285.35 g/mol
LogP1.28
Rot. Bonds5

About (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide

(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide (PubChem CID 104984023) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
PubChem CID104984023
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
SMILESCn1cc(NC(=O)[C@@H](N)CCc2ccccc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-19-11-13(8-10-15(19)20)18-16(21)14(17)9-7-12-5-3-2-4-6-12/h2-6,8,10-11,14H,7,9,17H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyNOFQIBYGOWKIBG-AWEZNQCLSA-N
XLogP1.28
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 79024286
(3S)-3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-5-phenylpentanamide
CID 97315292
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-phenylpropanamide
CID 78984653
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 61178866
(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride
CID 119723799
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
CID 107471479
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
CID 102805533
N-(1-methyl-6-oxo-3-pyridinyl)-3,3-diphenylpropanamide
CID 75461898
2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
CID 114927368

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide (CID 104984023) is (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide is Cn1cc(NC(=O)[C@@H](N)CCc2ccccc2)ccc1=O.
What is the InChIKey of (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide?
The InChIKey is NOFQIBYGOWKIBG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-11-13(8-10-15(19)20)18-16(21)14(17)9-7-12-5-3-2-4-6-12/h2-6,8,10-11,14H,7,9,17H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide?
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide has a molecular weight of 285.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide is sourced from PubChem (CID 104984023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).