ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate

C15H14F3N3O2 — CID 113034834

IUPACethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N3O2/c1-2-23-14(22)21-13-8-7-10(9-19-13)20-12-6-4-3-5-11(12)15(16,17)18/h3-9,20H,2H2,1H3,(H,19,21,22)
InChIKeyQEBMHBBASILOPW-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.41
Rot. Bonds4

About ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate

ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate (PubChem CID 113034834) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
PubChem CID113034834
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Nameethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N3O2/c1-2-23-14(22)21-13-8-7-10(9-19-13)20-12-6-4-3-5-11(12)15(16,17)18/h3-9,20H,2H2,1H3,(H,19,21,22)
InChIKeyQEBMHBBASILOPW-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-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate
CID 113036336
ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 57168992
ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113034806
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113034810
ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate
CID 113028219
5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 67532141
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate (CID 113034834) is ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate?
The InChIKey is QEBMHBBASILOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-2-23-14(22)21-13-8-7-10(9-19-13)20-12-6-4-3-5-11(12)15(16,17)18/h3-9,20H,2H2,1H3,(H,19,21,22).
What are the key properties of ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate?
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-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-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate is sourced from PubChem (CID 113034834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).