5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid

C14H22N2O2 — CID 115490832

IUPAC5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
SMILESCCC(CC)CN(CC)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H22N2O2/c1-4-11(5-2)10-16(6-3)12-7-8-13(14(17)18)15-9-12/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyIGAYRZFXDSRZEO-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.04
Rot. Bonds7

About 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid

5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid (PubChem CID 115490832) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
PubChem CID115490832
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
SMILESCCC(CC)CN(CC)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H22N2O2/c1-4-11(5-2)10-16(6-3)12-7-8-13(14(17)18)15-9-12/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyIGAYRZFXDSRZEO-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638828
5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid
CID 115490751
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 115490842
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
5-[propan-2-yl(propyl)amino]pyridine-2-carboxylic acid
CID 115490777
5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid
CID 104638983
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid (CID 115490832) is 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid is CCC(CC)CN(CC)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid?
The InChIKey is IGAYRZFXDSRZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(5-2)10-16(6-3)12-7-8-13(14(17)18)15-9-12/h7-9,11H,4-6,10H2,1-3H3,(H,17,18).
What are the key properties of 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid?
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).