2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid

C13H19N3O3 — CID 107146210

IUPAC2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCCCC[C@H](N)C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H19N3O3/c1-2-3-4-11(14)12(17)16-8-10-7-9(13(18)19)5-6-15-10/h5-7,11H,2-4,8,14H2,1H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyHFQWJKLUSAMYKN-NSHDSACASA-N
MW265.31 g/mol
LogP0.91
Rot. Bonds7

About 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid

2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid (PubChem CID 107146210) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid
PubChem CID107146210
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid
SMILESCCCC[C@H](N)C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H19N3O3/c1-2-3-4-11(14)12(17)16-8-10-7-9(13(18)19)5-6-15-10/h5-7,11H,2-4,8,14H2,1H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyHFQWJKLUSAMYKN-NSHDSACASA-N
XLogP0.91
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid 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

2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277599
2-[[(4-amino-2-methylbutanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277585
2-[(pentan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277665
2-[(pentan-2-ylamino)methyl]pyridine-4-carboxylic acid
CID 107886544
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(6-amino-4-ethylhexanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324704
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
5-(2-aminohexanoylamino)benzene-1,3-dicarboxylic acid
CID 61160490
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid (CID 107146210) is 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid is CCCC[C@H](N)C(=O)NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is HFQWJKLUSAMYKN-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-3-4-11(14)12(17)16-8-10-7-9(13(18)19)5-6-15-10/h5-7,11H,2-4,8,14H2,1H3,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid?
2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-2-aminohexanoyl]amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 107146210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).