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

C12H18N2O2 — CID 62253963

IUPAC6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
SMILESCCN(CC(C)C)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O2/c1-4-14(8-9(2)3)11-7-5-6-10(13-11)12(15)16/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyIWFXGTUTVZBUOW-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.26
Rot. Bonds5

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

6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid (PubChem CID 62253963) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
PubChem CID62253963
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
SMILESCCN(CC(C)C)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H18N2O2/c1-4-14(8-9(2)3)11-7-5-6-10(13-11)12(15)16/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyIWFXGTUTVZBUOW-UHFFFAOYSA-N
XLogP2.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
CID 63588786
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 122054452
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 113323698
6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid
CID 2415269
6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid
CID 5263799
6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
CID 63700400
6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid
CID 81055123
6-(diethylamino)pyridine-2-carbothioamide
CID 64587426
2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62701818

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid (CID 62253963) is 6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid is CCN(CC(C)C)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid?
The InChIKey is IWFXGTUTVZBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(8-9(2)3)11-7-5-6-10(13-11)12(15)16/h5-7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid?
6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62253963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).