methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate

C14H20N2O3 — CID 102609129

IUPACmethyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate
SMILESCCOC1CC(Nc2ccc(C(=O)OC)c(C)n2)C1
InChIInChI=1S/C14H20N2O3/c1-4-19-11-7-10(8-11)16-13-6-5-12(9(2)15-13)14(17)18-3/h5-6,10-11H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyFULHBPYQKSORGN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.16
Rot. Bonds5

About methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate

methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate (PubChem CID 102609129) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate
PubChem CID102609129
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate
SMILESCCOC1CC(Nc2ccc(C(=O)OC)c(C)n2)C1
InChIInChI=1S/C14H20N2O3/c1-4-19-11-7-10(8-11)16-13-6-5-12(9(2)15-13)14(17)18-3/h5-6,10-11H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyFULHBPYQKSORGN-UHFFFAOYSA-N
XLogP2.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate (CID 102609129) is methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate is CCOC1CC(Nc2ccc(C(=O)OC)c(C)n2)C1.
What is the InChIKey of methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate?
The InChIKey is FULHBPYQKSORGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-11-7-10(8-11)16-13-6-5-12(9(2)15-13)14(17)18-3/h5-6,10-11H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate?
methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 102609129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).