2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid

C13H18N2O3 — CID 65217615

IUPAC2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(C)nc1C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-10(13(17)18)7-14-12(16)11-6-5-8(2)15-9(11)3/h5-6,10H,4,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyWLKBYNJOOFKGRO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds5

About 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid

2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid (PubChem CID 65217615) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
PubChem CID65217615
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1ccc(C)nc1C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-10(13(17)18)7-14-12(16)11-6-5-8(2)15-9(11)3/h5-6,10H,4,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyWLKBYNJOOFKGRO-UHFFFAOYSA-N
XLogP1.54
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-(3-hydroxy-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 65034246
N-(3-chloro-2-methylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114302798
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-one
CID 105117428
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
2-[[(2,3,4-trifluorobenzoyl)amino]methyl]butanoic acid
CID 79749423
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65218133
N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119508405

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid (CID 65217615) is 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)c1ccc(C)nc1C)C(=O)O.
What is the InChIKey of 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid?
The InChIKey is WLKBYNJOOFKGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-10(13(17)18)7-14-12(16)11-6-5-8(2)15-9(11)3/h5-6,10H,4,7H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid?
2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65217615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).