ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate

C16H16F3N3O3 — CID 137420594

IUPACethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C16H16F3N3O3/c1-2-24-15(23)21-12-7-8-13(22-14(12)20)25-9-10-3-5-11(6-4-10)16(17,18)19/h3-8H,2,9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyONYHHOAHPUBHQC-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.83
Rot. Bonds5

About ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate (PubChem CID 137420594) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate
PubChem CID137420594
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Nameethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)nc1N
InChIInChI=1S/C16H16F3N3O3/c1-2-24-15(23)21-12-7-8-13(22-14(12)20)25-9-10-3-5-11(6-4-10)16(17,18)19/h3-8H,2,9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyONYHHOAHPUBHQC-UHFFFAOYSA-N
XLogP3.83
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate (CID 137420594) is ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate?
The InChIKey is ONYHHOAHPUBHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-2-24-15(23)21-12-7-8-13(22-14(12)20)25-9-10-3-5-11(6-4-10)16(17,18)19/h3-8H,2,9H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate has a molecular weight of 355.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]carbamate is sourced from PubChem (CID 137420594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).