ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate

C15H14F3N3O2 — CID 113020178

IUPACethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C15H14F3N3O2/c1-2-23-14(22)20-10-7-8-13(19-9-10)21-12-6-4-3-5-11(12)15(16,17)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyXDVKAAYUSUZVDR-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.41
Rot. Bonds4

About ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate

ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate (PubChem CID 113020178) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
PubChem CID113020178
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Nameethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C15H14F3N3O2/c1-2-23-14(22)20-10-7-8-13(19-9-10)21-12-6-4-3-5-11(12)15(16,17)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyXDVKAAYUSUZVDR-UHFFFAOYSA-N
XLogP4.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020838
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 57168992
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
CID 113011907
ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate (CID 113020178) is ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate?
The InChIKey is XDVKAAYUSUZVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-2-23-14(22)20-10-7-8-13(19-9-10)21-12-6-4-3-5-11(12)15(16,17)18/h3-9H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate?
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate has a molecular weight of 325.29 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate is sourced from PubChem (CID 113020178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).