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

C13H18N2O3 — CID 64671902

IUPAC3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1ccc(C(=O)NC(C)(C)CC(=O)O)c(C)n1
InChIInChI=1S/C13H18N2O3/c1-8-5-6-10(9(2)14-8)12(18)15-13(3,4)7-11(16)17/h5-6H,7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyOZNMZLJQNYHFRD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.68
Rot. Bonds4

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

3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 64671902) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID64671902
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1ccc(C(=O)NC(C)(C)CC(=O)O)c(C)n1
InChIInChI=1S/C13H18N2O3/c1-8-5-6-10(9(2)14-8)12(18)15-13(3,4)7-11(16)17/h5-6H,7H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyOZNMZLJQNYHFRD-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62829026
3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 105059720
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174598
N-[3-(bromomethyl)pentan-3-yl]-2,6-dimethylpyridine-3-carboxamide
CID 113275834
3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 64670553
3-methyl-3-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 79749914
N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 115364657
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
2-[2-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 62830254
3-[(2,6-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 64670872
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid (CID 64671902) is 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid is Cc1ccc(C(=O)NC(C)(C)CC(=O)O)c(C)n1.
What is the InChIKey of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is OZNMZLJQNYHFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-5-6-10(9(2)14-8)12(18)15-13(3,4)7-11(16)17/h5-6H,7H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid?
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 64671902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).