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

C11H17N3O — CID 79023254

IUPAC(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C11H17N3O/c1-3-10(12)11(15)14-7-9-5-4-8(2)13-6-9/h4-6,10H,3,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyWGMPDCDWSGDAEK-JTQLQIEISA-N
MW207.28 g/mol
LogP0.74
Rot. Bonds4

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

(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide (PubChem CID 79023254) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
PubChem CID79023254
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C11H17N3O/c1-3-10(12)11(15)14-7-9-5-4-8(2)13-6-9/h4-6,10H,3,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyWGMPDCDWSGDAEK-JTQLQIEISA-N
XLogP0.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55211780
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide
CID 119872275
2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide
CID 115287220
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid
CID 64584052
2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 94182165

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide (CID 79023254) is (2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide is CC[C@H](N)C(=O)NCc1ccc(C)nc1.
What is the InChIKey of (2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
The InChIKey is WGMPDCDWSGDAEK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-10(12)11(15)14-7-9-5-4-8(2)13-6-9/h4-6,10H,3,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide?
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide has a molecular weight of 207.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 79023254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).