methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate

C11H16N2O2 — CID 71758644

IUPACmethyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate
SMILESCCCc1nc(CN)ccc1C(=O)OC
InChIInChI=1S/C11H16N2O2/c1-3-4-10-9(11(14)15-2)6-5-8(7-12)13-10/h5-6H,3-4,7,12H2,1-2H3
InChIKeyKDZRAPRBAMZNQC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.28
Rot. Bonds4

About methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate

methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate (PubChem CID 71758644) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate
PubChem CID71758644
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate
SMILESCCCc1nc(CN)ccc1C(=O)OC
InChIInChI=1S/C11H16N2O2/c1-3-4-10-9(11(14)15-2)6-5-8(7-12)13-10/h5-6H,3-4,7,12H2,1-2H3
InChIKeyKDZRAPRBAMZNQC-UHFFFAOYSA-N
XLogP1.28
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate (CID 71758644) is methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate is CCCc1nc(CN)ccc1C(=O)OC.
What is the InChIKey of methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate?
The InChIKey is KDZRAPRBAMZNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-4-10-9(11(14)15-2)6-5-8(7-12)13-10/h5-6H,3-4,7,12H2,1-2H3.
What are the key properties of methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate?
methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate is sourced from PubChem (CID 71758644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).