2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid

C15H25N3O2 — CID 106035062

IUPAC2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCCCN(C)C(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-5-13-9-12(15(19)20)10-14(17-13)16-7-6-8-18(4)11(2)3/h9-11H,5-8H2,1-4H3,(H,16,17)(H,19,20)
InChIKeyJULCSRRSTZSLMC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.48
Rot. Bonds8

About 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid

2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid (PubChem CID 106035062) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
PubChem CID106035062
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(NCCCN(C)C(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-5-13-9-12(15(19)20)10-14(17-13)16-7-6-8-18(4)11(2)3/h9-11H,5-8H2,1-4H3,(H,16,17)(H,19,20)
InChIKeyJULCSRRSTZSLMC-UHFFFAOYSA-N
XLogP2.48
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 114139075
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-ethyl-6-[3-(2-hydroxyethoxy)propylamino]pyridine-4-carboxylic acid
CID 106305378
2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
2-(4-propan-2-yloxybutylamino)-6-propylpyridine-4-carboxylic acid
CID 106003855
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042309
2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-benzoxazole-6-carboxylic acid
CID 106034983
2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 137000544
2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
CID 136975212
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80935114

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid (CID 106035062) is 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(NCCCN(C)C(C)C)n1.
What is the InChIKey of 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid?
The InChIKey is JULCSRRSTZSLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-13-9-12(15(19)20)10-14(17-13)16-7-6-8-18(4)11(2)3/h9-11H,5-8H2,1-4H3,(H,16,17)(H,19,20).
What are the key properties of 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid?
2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106035062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).