methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate

C14H21N3O3 — CID 114409060

IUPACmethyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OCC2CCCCN2C)n1
InChIInChI=1S/C14H21N3O3/c1-17-8-4-3-5-10(17)9-20-13-11(15)6-7-12(16-13)14(18)19-2/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeyNSGKMFUDHTZKEC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.31
Rot. Bonds4

About methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate

methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate (PubChem CID 114409060) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate
PubChem CID114409060
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OCC2CCCCN2C)n1
InChIInChI=1S/C14H21N3O3/c1-17-8-4-3-5-10(17)9-20-13-11(15)6-7-12(16-13)14(18)19-2/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeyNSGKMFUDHTZKEC-UHFFFAOYSA-N
XLogP1.31
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate (CID 114409060) is methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(OCC2CCCCN2C)n1.
What is the InChIKey of methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate?
The InChIKey is NSGKMFUDHTZKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17-8-4-3-5-10(17)9-20-13-11(15)6-7-12(16-13)14(18)19-2/h6-7,10H,3-5,8-9,15H2,1-2H3.
What are the key properties of methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate?
methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 114409060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).