N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C23H21F3N4O4 — CID 10238782

IUPACN-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2)ccn1
InChIInChI=1S/C23H21F3N4O4/c1-3-27-21(31)19-13-17(10-11-28-19)34-16-7-5-15(6-8-16)29-22(32)30-18-12-14(23(24,25)26)4-9-20(18)33-2/h4-13H,3H2,1-2H3,(H,27,31)(H2,29,30,32)
InChIKeyOBRXWZRFHKQFNQ-UHFFFAOYSA-N
MW474.44 g/mol
LogP5.30
Rot. Bonds7

About N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 10238782) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID10238782
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC NameN-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2)ccn1
InChIInChI=1S/C23H21F3N4O4/c1-3-27-21(31)19-13-17(10-11-28-19)34-16-7-5-15(6-8-16)29-22(32)30-18-12-14(23(24,25)26)4-9-20(18)33-2/h4-13H,3H2,1-2H3,(H,27,31)(H2,29,30,32)
InChIKeyOBRXWZRFHKQFNQ-UHFFFAOYSA-N
XLogP5.30
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 10238782) is N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2)ccn1.
What is the InChIKey of N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is OBRXWZRFHKQFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-3-27-21(31)19-13-17(10-11-28-19)34-16-7-5-15(6-8-16)29-22(32)30-18-12-14(23(24,25)26)4-9-20(18)33-2/h4-13H,3H2,1-2H3,(H,27,31)(H2,29,30,32).
What are the key properties of N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 5.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 10238782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).