(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride

C11H19Cl2N3O — CID 119884719

IUPAC(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
SMILESCc1cncc(NC(=O)[C@@H](N)C(C)C)c1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-7(2)10(12)11(15)14-9-4-8(3)5-13-6-9;;/h4-7,10H,12H2,1-3H3,(H,14,15);2*1H/t10-;;/m0../s1
InChIKeyVJPOHAKCHJOMQB-XRIOVQLTSA-N
MW280.20 g/mol
LogP2.16
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride

(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride (PubChem CID 119884719) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
PubChem CID119884719
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
SMILESCc1cncc(NC(=O)[C@@H](N)C(C)C)c1.Cl.Cl
InChIInChI=1S/C11H17N3O.2ClH/c1-7(2)10(12)11(15)14-9-4-8(3)5-13-6-9;;/h4-7,10H,12H2,1-3H3,(H,14,15);2*1H/t10-;;/m0../s1
InChIKeyVJPOHAKCHJOMQB-XRIOVQLTSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5-methyl-3-pyridinyl)propanamide
CID 103881690
2-amino-N-(5-methyl-3-pyridinyl)butanediamide
CID 103827807
2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide
CID 107585441
2-amino-N-(5-methyl-3-pyridinyl)pent-4-enamide
CID 107585442
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459
propan-2-yl N-(5-methyl-3-pyridinyl)carbamate
CID 107584983
2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide
CID 107585461
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703
(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide
CID 79013276

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride (CID 119884719) is (2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride is Cc1cncc(NC(=O)[C@@H](N)C(C)C)c1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride?
The InChIKey is VJPOHAKCHJOMQB-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c1-7(2)10(12)11(15)14-9-4-8(3)5-13-6-9;;/h4-7,10H,12H2,1-3H3,(H,14,15);2*1H/t10-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride?
(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 2.16, 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-(5-methyl-3-pyridinyl)butanamide;dihydrochloride is sourced from PubChem (CID 119884719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).