ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate

C14H20N2O4 — CID 107389562

IUPACethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC2COC(C)(C)O2)nc1
InChIInChI=1S/C14H20N2O4/c1-4-18-13(17)10-5-6-12(15-7-10)16-8-11-9-19-14(2,3)20-11/h5-7,11H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyBYSGFRDAQBWXIG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.82
Rot. Bonds5

About ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate

ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate (PubChem CID 107389562) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
PubChem CID107389562
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC2COC(C)(C)O2)nc1
InChIInChI=1S/C14H20N2O4/c1-4-18-13(17)10-5-6-12(15-7-10)16-8-11-9-19-14(2,3)20-11/h5-7,11H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyBYSGFRDAQBWXIG-UHFFFAOYSA-N
XLogP1.82
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate (CID 107389562) is ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCC2COC(C)(C)O2)nc1.
What is the InChIKey of ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is BYSGFRDAQBWXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-18-13(17)10-5-6-12(15-7-10)16-8-11-9-19-14(2,3)20-11/h5-7,11H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate?
ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 107389562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).