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

C10H15N3O2 — CID 79024286

IUPAC(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C10H15N3O2/c1-3-8(11)10(15)12-7-4-5-9(14)13(2)6-7/h4-6,8H,3,11H2,1-2H3,(H,12,15)/t8-/m0/s1
InChIKeyQTHSPKBIKUSBBZ-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.06
Rot. Bonds3

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

(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide (PubChem CID 79024286) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
PubChem CID79024286
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C10H15N3O2/c1-3-8(11)10(15)12-7-4-5-9(14)13(2)6-7/h4-6,8H,3,11H2,1-2H3,(H,12,15)/t8-/m0/s1
InChIKeyQTHSPKBIKUSBBZ-QMMMGPOBSA-N
XLogP0.06
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
CID 104984023
2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 43713286
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 61178866
(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-4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)pentanamide
CID 54862542
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
N-(1-methyl-6-oxo-3-pyridinyl)-3,3-diphenylpropanamide
CID 75461898
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)hexanamide
CID 54862552
2-amino-4-methoxy-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 62473033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide (CID 79024286) is (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide is CC[C@H](N)C(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
The InChIKey is QTHSPKBIKUSBBZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-8(11)10(15)12-7-4-5-9(14)13(2)6-7/h4-6,8H,3,11H2,1-2H3,(H,12,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide has a molecular weight of 209.25 g/mol, XLogP of 0.06, 3 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)butanamide is sourced from PubChem (CID 79024286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).