methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate

C11H14N2O2 — CID 170500531

IUPACmethyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1cnc(C)c(N)c1
InChIInChI=1S/C11H14N2O2/c1-8-10(12)6-9(7-13-8)4-3-5-11(14)15-2/h3-4,6-7H,5,12H2,1-2H3
InChIKeyNLACNTSBDBURET-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.55
Rot. Bonds3

About methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate

methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate (PubChem CID 170500531) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
PubChem CID170500531
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Namemethyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1cnc(C)c(N)c1
InChIInChI=1S/C11H14N2O2/c1-8-10(12)6-9(7-13-8)4-3-5-11(14)15-2/h3-4,6-7H,5,12H2,1-2H3
InChIKeyNLACNTSBDBURET-UHFFFAOYSA-N
XLogP1.55
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate?
The IUPAC name of methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate (CID 170500531) is methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate.
What is the SMILES notation for methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate?
The canonical SMILES for methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate is COC(=O)CC=Cc1cnc(C)c(N)c1.
What is the InChIKey of methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate?
The InChIKey is NLACNTSBDBURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-10(12)6-9(7-13-8)4-3-5-11(14)15-2/h3-4,6-7H,5,12H2,1-2H3.
What are the key properties of methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate?
methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate has a molecular weight of 206.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate is sourced from PubChem (CID 170500531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).