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

C14H20N2O4 — CID 107389666

IUPACethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC1COC(C)(C)O1
InChIInChI=1S/C14H20N2O4/c1-4-18-13(17)11-6-5-7-15-12(11)16-8-10-9-19-14(2,3)20-10/h5-7,10H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyJZQJVQHSQBAEBU-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.82
Rot. Bonds5

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

ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate (PubChem CID 107389666) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
PubChem CID107389666
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC1COC(C)(C)O1
InChIInChI=1S/C14H20N2O4/c1-4-18-13(17)11-6-5-7-15-12(11)16-8-10-9-19-14(2,3)20-10/h5-7,10H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyJZQJVQHSQBAEBU-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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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-ethoxypyridin-2-amine
CID 107389367
ethyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
CID 107389562
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
CID 104695484
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510
ethyl 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyridine-3-carboxylate
CID 60817282
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate
CID 165344136
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate (CID 107389666) is ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC1COC(C)(C)O1.
What is the InChIKey of ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is JZQJVQHSQBAEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-18-13(17)11-6-5-7-15-12(11)16-8-10-9-19-14(2,3)20-10/h5-7,10H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate?
ethyl 2-[(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 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 107389666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).