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

C11H17N3O — CID 22689866

IUPAC(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(NC(=O)[C@@H](N)C(C)C)n1
InChIInChI=1S/C11H17N3O/c1-7(2)10(12)11(15)14-9-6-4-5-8(3)13-9/h4-7,10H,12H2,1-3H3,(H,13,14,15)/t10-/m0/s1
InChIKeyRPPGMUVXFFONCE-JTQLQIEISA-N
MW207.28 g/mol
LogP1.31
Rot. Bonds3

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

(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide (PubChem CID 22689866) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
PubChem CID22689866
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(NC(=O)[C@@H](N)C(C)C)n1
InChIInChI=1S/C11H17N3O/c1-7(2)10(12)11(15)14-9-6-4-5-8(3)13-9/h4-7,10H,12H2,1-3H3,(H,13,14,15)/t10-/m0/s1
InChIKeyRPPGMUVXFFONCE-JTQLQIEISA-N
XLogP1.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757
2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813269
(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
CID 130299804
2-amino-3-methyl-N-(6-phenyl-2-pyridinyl)butanamide
CID 110481515
N-(6-methyl-2-pyridinyl)-2-phenylpropanamide
CID 70678328
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 62307698
5-amino-N-(6-methyl-2-pyridinyl)hexanamide
CID 82849039
(2R)-N-(6-methyl-2-pyridinyl)-2-phenoxypropanamide
CID 836214
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 61148022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide (CID 22689866) is (2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide is Cc1cccc(NC(=O)[C@@H](N)C(C)C)n1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide?
The InChIKey is RPPGMUVXFFONCE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)10(12)11(15)14-9-6-4-5-8(3)13-9/h4-7,10H,12H2,1-3H3,(H,13,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide?
(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide has a molecular weight of 207.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 22689866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).