ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate

C14H20N2O3 — CID 114075090

IUPACethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2(C)CCOCC2)nc1
InChIInChI=1S/C14H20N2O3/c1-3-19-13(17)11-4-5-12(15-10-11)16-14(2)6-8-18-9-7-14/h4-5,10H,3,6-9H2,1-2H3,(H,15,16)
InChIKeyWENUJBUSSBOLSR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.24
Rot. Bonds4

About ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate

ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate (PubChem CID 114075090) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate
PubChem CID114075090
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2(C)CCOCC2)nc1
InChIInChI=1S/C14H20N2O3/c1-3-19-13(17)11-4-5-12(15-10-11)16-14(2)6-8-18-9-7-14/h4-5,10H,3,6-9H2,1-2H3,(H,15,16)
InChIKeyWENUJBUSSBOLSR-UHFFFAOYSA-N
XLogP2.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate (CID 114075090) is ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC2(C)CCOCC2)nc1.
What is the InChIKey of ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate?
The InChIKey is WENUJBUSSBOLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-13(17)11-4-5-12(15-10-11)16-14(2)6-8-18-9-7-14/h4-5,10H,3,6-9H2,1-2H3,(H,15,16).
What are the key properties of ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate?
ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 114075090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).