(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide

C13H21N3O — CID 63306281

IUPAC(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1ncccc1C
InChIInChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-8-11-10(3)6-5-7-15-11/h5-7,9,12H,4,8,14H2,1-3H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyAABYXQNMSRFRLT-CABZTGNLSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide (PubChem CID 63306281) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
PubChem CID63306281
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1ncccc1C
InChIInChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-8-11-10(3)6-5-7-15-11/h5-7,9,12H,4,8,14H2,1-3H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyAABYXQNMSRFRLT-CABZTGNLSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride
CID 119734945
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 55206150

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide (CID 63306281) is (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NCc1ncccc1C.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide?
The InChIKey is AABYXQNMSRFRLT-CABZTGNLSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-8-11-10(3)6-5-7-15-11/h5-7,9,12H,4,8,14H2,1-3H3,(H,16,17)/t9-,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 63306281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).