methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate

C11H14N2O3 — CID 67057251

IUPACmethyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)cc(OCC2CC2)n1
InChIInChI=1S/C11H14N2O3/c1-15-11(14)9-4-8(12)5-10(13-9)16-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H2,12,13)
InChIKeyUYURWOGGRBDMPZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.24
Rot. Bonds4

About methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate

methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate (PubChem CID 67057251) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate
PubChem CID67057251
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)cc(OCC2CC2)n1
InChIInChI=1S/C11H14N2O3/c1-15-11(14)9-4-8(12)5-10(13-9)16-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H2,12,13)
InChIKeyUYURWOGGRBDMPZ-UHFFFAOYSA-N
XLogP1.24
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate (CID 67057251) is methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate is COC(=O)c1cc(N)cc(OCC2CC2)n1.
What is the InChIKey of methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate?
The InChIKey is UYURWOGGRBDMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-11(14)9-4-8(12)5-10(13-9)16-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate?
methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 67057251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).