3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid

C13H18N2O3 — CID 62826642

IUPAC3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccc(C)nc1
InChIInChI=1S/C13H18N2O3/c1-4-15(8-9(2)13(17)18)12(16)11-6-5-10(3)14-7-11/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyHIUMDMNMGPKPJJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds5

About 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid

3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62826642) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62826642
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccc(C)nc1
InChIInChI=1S/C13H18N2O3/c1-4-15(8-9(2)13(17)18)12(16)11-6-5-10(3)14-7-11/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyHIUMDMNMGPKPJJ-UHFFFAOYSA-N
XLogP1.57
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752591
3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 112555141
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 111758403
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
2-methyl-4-(6-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 104823190
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074
3-[(4-amino-3-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55158896
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid (CID 62826642) is 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)c1ccc(C)nc1.
What is the InChIKey of 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is HIUMDMNMGPKPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-15(8-9(2)13(17)18)12(16)11-6-5-10(3)14-7-11/h5-7,9H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid?
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62826642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).