4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid

C14H22N2O2 — CID 81053761

IUPAC4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCN(CC(C)C)c1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-6-16(8-9(2)3)12-7-10(4)15-11(5)13(12)14(17)18/h7,9H,6,8H2,1-5H3,(H,17,18)
InChIKeyAMOVZXAVFDXXPC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.88
Rot. Bonds5

About 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid

4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81053761) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81053761
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCN(CC(C)C)c1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-6-16(8-9(2)3)12-7-10(4)15-11(5)13(12)14(17)18/h7,9H,6,8H2,1-5H3,(H,17,18)
InChIKeyAMOVZXAVFDXXPC-UHFFFAOYSA-N
XLogP2.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81053761) is 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is CCN(CC(C)C)c1cc(C)nc(C)c1C(=O)O.
What is the InChIKey of 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is AMOVZXAVFDXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-16(8-9(2)3)12-7-10(4)15-11(5)13(12)14(17)18/h7,9H,6,8H2,1-5H3,(H,17,18).
What are the key properties of 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81053761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).