3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid

C13H21N3O2 — CID 79470438

IUPAC3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid
SMILESCCC(C)CN(CC)c1nccc(C(=O)O)c1N
InChIInChI=1S/C13H21N3O2/c1-4-9(3)8-16(5-2)12-11(14)10(13(17)18)6-7-15-12/h6-7,9H,4-5,8,14H2,1-3H3,(H,17,18)
InChIKeySZGCFIGAWRYCNF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds6

About 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid

3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid (PubChem CID 79470438) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid
PubChem CID79470438
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid
SMILESCCC(C)CN(CC)c1nccc(C(=O)O)c1N
InChIInChI=1S/C13H21N3O2/c1-4-9(3)8-16(5-2)12-11(14)10(13(17)18)6-7-15-12/h6-7,9H,4-5,8,14H2,1-3H3,(H,17,18)
InChIKeySZGCFIGAWRYCNF-UHFFFAOYSA-N
XLogP2.23
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid
CID 79470984
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062243
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
CID 114056156
3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid
CID 81061551
4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid
CID 79480343
2-bromo-4-[ethyl(2-methylbutyl)amino]benzoic acid
CID 107282175
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110
ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386492
3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine
CID 102986815
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile
CID 79470228
3-amino-2-methylpyridine-4-carboxylic acid
CID 14447106
2-[(3-amino-4-cyano-2-pyridinyl)-ethylamino]acetamide
CID 103101208

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid (CID 79470438) is 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid is CCC(C)CN(CC)c1nccc(C(=O)O)c1N.
What is the InChIKey of 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid?
The InChIKey is SZGCFIGAWRYCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-9(3)8-16(5-2)12-11(14)10(13(17)18)6-7-15-12/h6-7,9H,4-5,8,14H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid?
3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 79470438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).