methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate

C11H14N2O2 — CID 170487339

IUPACmethyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C=CCCN)c1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-6-9(7-13-8-10)4-2-3-5-12/h2,4,6-8H,3,5,12H2,1H3
InChIKeyCJIGEYUIZBFIPH-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.23
Rot. Bonds4

About methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate

methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate (PubChem CID 170487339) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate
PubChem CID170487339
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C=CCCN)c1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-6-9(7-13-8-10)4-2-3-5-12/h2,4,6-8H,3,5,12H2,1H3
InChIKeyCJIGEYUIZBFIPH-UHFFFAOYSA-N
XLogP1.23
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-aminoprop-1-enyl)pyridine-3-carboxylate
CID 169463930
5-(4-aminobut-1-enyl)pyridine-3-carbohydrazide
CID 170487393
methyl 3-(4-aminobut-1-enyl)benzoate
CID 170487184
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
CID 170476646
methyl 5-propa-1,2-dienylpyridine-3-carboxylate
CID 134856022
ethyl 5-(3-bromoprop-1-enyl)pyridine-3-carboxylate
CID 169476080
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
5-(3-chloroprop-1-enyl)pyridine-3-carbohydrazide
CID 169477771
[5-(4-aminobut-1-enyl)-3-pyridinyl]methanol
CID 170486715
methyl 4-(4-aminobut-1-enyl)-3-methylbenzoate
CID 170487455
methyl 5-[(E)-2-[3-amino-4-(trifluoromethyl)phenyl]ethenyl]pyridine-3-carboxylate
CID 155670841
3-(5-ethoxycarbonyl-3-pyridinyl)prop-2-enoic acid
CID 169460847

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate (CID 170487339) is methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate is COC(=O)c1cncc(C=CCCN)c1.
What is the InChIKey of methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate?
The InChIKey is CJIGEYUIZBFIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)10-6-9(7-13-8-10)4-2-3-5-12/h2,4,6-8H,3,5,12H2,1H3.
What are the key properties of methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate?
methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate is sourced from PubChem (CID 170487339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).