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

C12H16N2O2 — CID 115490751

IUPAC5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid
SMILESC=C(C)CN(CC)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O2/c1-4-14(8-9(2)3)10-5-6-11(12(15)16)13-7-10/h5-7H,2,4,8H2,1,3H3,(H,15,16)
InChIKeyVTEHIWZUACXMIR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds5

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

5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid (PubChem CID 115490751) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid
PubChem CID115490751
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid
SMILESC=C(C)CN(CC)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O2/c1-4-14(8-9(2)3)10-5-6-11(12(15)16)13-7-10/h5-7H,2,4,8H2,1,3H3,(H,15,16)
InChIKeyVTEHIWZUACXMIR-UHFFFAOYSA-N
XLogP2.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanone
CID 83120327
5-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638828
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 115490842
(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83131507
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599
2-chloro-4-[ethyl(2-methylprop-2-enyl)amino]benzoic acid
CID 55153564
1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187248
1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119677
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid (CID 115490751) is 5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid is C=C(C)CN(CC)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid?
The InChIKey is VTEHIWZUACXMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-14(8-9(2)3)10-5-6-11(12(15)16)13-7-10/h5-7H,2,4,8H2,1,3H3,(H,15,16).
What are the key properties of 5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid?
5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-methylprop-2-enyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).