butyl 5-aminopyridine-2-carboxylate

C10H14N2O2 — CID 81315833

IUPACbutyl 5-aminopyridine-2-carboxylate
SMILESCCCCOC(=O)c1ccc(N)cn1
InChIInChI=1S/C10H14N2O2/c1-2-3-6-14-10(13)9-5-4-8(11)7-12-9/h4-5,7H,2-3,6,11H2,1H3
InChIKeyCXOUAILJYIAHEH-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds4

About butyl 5-aminopyridine-2-carboxylate

butyl 5-aminopyridine-2-carboxylate (PubChem CID 81315833) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is butyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Namebutyl 5-aminopyridine-2-carboxylate
PubChem CID81315833
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namebutyl 5-aminopyridine-2-carboxylate
SMILESCCCCOC(=O)c1ccc(N)cn1
InChIInChI=1S/C10H14N2O2/c1-2-3-6-14-10(13)9-5-4-8(11)7-12-9/h4-5,7H,2-3,6,11H2,1H3
InChIKeyCXOUAILJYIAHEH-UHFFFAOYSA-N
XLogP1.62
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibutyl pyridine-2,5-dicarboxylate
CID 4266603
5-hydroxypentyl 5-aminopyridine-2-carboxylate
CID 81315730
6-hydroxyhexyl 5-aminopyridine-2-carboxylate
CID 104934318
2-methylsulfonylethyl 5-aminopyridine-2-carboxylate
CID 81316375
2-(4-methoxyphenoxy)ethyl 5-aminopyridine-2-carboxylate
CID 81312356
[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
CID 81315855
3-(2,2,2-trifluoroethoxy)propyl 5-aminopyridine-2-carboxylate
CID 81318177
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
butyl 6-amino-9H-pyrido[3,4-b]indole-3-carboxylate
CID 10401564
2-aminoethyl 5-butylpyridine-2-carboxylate
CID 54300012
azane;butyl 4-aminobenzoate
CID 175088613
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491

Frequently Asked Questions

What is the IUPAC name of butyl 5-aminopyridine-2-carboxylate?
The IUPAC name of butyl 5-aminopyridine-2-carboxylate (CID 81315833) is butyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for butyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for butyl 5-aminopyridine-2-carboxylate is CCCCOC(=O)c1ccc(N)cn1.
What is the InChIKey of butyl 5-aminopyridine-2-carboxylate?
The InChIKey is CXOUAILJYIAHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-3-6-14-10(13)9-5-4-8(11)7-12-9/h4-5,7H,2-3,6,11H2,1H3.
What are the key properties of butyl 5-aminopyridine-2-carboxylate?
butyl 5-aminopyridine-2-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81315833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).