(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide

C13H21N3O — CID 104941409

IUPAC(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
SMILESCc1cnccc1CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)6-12(14)13(17)16-8-11-4-5-15-7-10(11)3/h4-5,7,9,12H,6,8,14H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyGWUCYNARAAMZJJ-GFCCVEGCSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide

(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide (PubChem CID 104941409) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
PubChem CID104941409
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
SMILESCc1cnccc1CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)6-12(14)13(17)16-8-11-4-5-15-7-10(11)3/h4-5,7,9,12H,6,8,14H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyGWUCYNARAAMZJJ-GFCCVEGCSA-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

Analyze (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
(2S)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-methylsulfanylbutanamide
CID 104941423
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
CID 104941410
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-phenylbutanamide
CID 166260300
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 107472817
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide
CID 119781006
(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119781005
(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide
CID 104903741

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide (CID 104941409) is (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide is Cc1cnccc1CNC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The InChIKey is GWUCYNARAAMZJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)6-12(14)13(17)16-8-11-4-5-15-7-10(11)3/h4-5,7,9,12H,6,8,14H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
(2R)-2-amino-4-methyl-N-[(3-methyl-4-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 (2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 104941409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).