2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid

C13H20N2O2 — CID 62701818

IUPAC2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCCN(CC(C)C)c1nc(C)ccc1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-5-15(8-9(2)3)12-11(13(16)17)7-6-10(4)14-12/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyHTXINLRILDGXOS-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.57
Rot. Bonds5

About 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid

2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 62701818) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID62701818
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCCN(CC(C)C)c1nc(C)ccc1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-5-15(8-9(2)3)12-11(13(16)17)7-6-10(4)14-12/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyHTXINLRILDGXOS-UHFFFAOYSA-N
XLogP2.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62702018
6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 62702882
2-[ethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 55107941
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
CID 63379944
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062243
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479
2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 62701835
2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 62702835
2-bromo-4-[ethyl(2-methylpropyl)amino]benzoic acid
CID 107281883
2-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916265
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053761
2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
CID 103102785

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid (CID 62701818) is 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid is CCN(CC(C)C)c1nc(C)ccc1C(=O)O.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is HTXINLRILDGXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-15(8-9(2)3)12-11(13(16)17)7-6-10(4)14-12/h6-7,9H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62701818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).