2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C26H21F3N4O2 — CID 59374071

IUPAC2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)19-8-6-18(7-9-19)14-17-31-24(34)22-4-3-16-32-25(22)35-21-12-10-20(11-13-21)33-23-5-1-2-15-30-23/h1-13,15-16H,14,17H2,(H,30,33)(H,31,34)
InChIKeyQJHPYCIAVIBXLO-UHFFFAOYSA-N
MW478.47 g/mol
LogP6.00
Rot. Bonds8

About 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 59374071) has the molecular formula C26H21F3N4O2 and a molecular weight of 478.47 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID59374071
Molecular FormulaC26H21F3N4O2
Molecular Weight478.47 g/mol
Exact Mass478.16
IUPAC Name2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)19-8-6-18(7-9-19)14-17-31-24(34)22-4-3-16-32-25(22)35-21-12-10-20(11-13-21)33-23-5-1-2-15-30-23/h1-13,15-16H,14,17H2,(H,30,33)(H,31,34)
InChIKeyQJHPYCIAVIBXLO-UHFFFAOYSA-N
XLogP6.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 59374071) is 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is QJHPYCIAVIBXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2/c27-26(28,29)19-8-6-18(7-9-19)14-17-31-24(34)22-4-3-16-32-25(22)35-21-12-10-20(11-13-21)33-23-5-1-2-15-30-23/h1-13,15-16H,14,17H2,(H,30,33)(H,31,34).
What are the key properties of 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 478.47 g/mol, XLogP of 6.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylamino)phenoxy]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 59374071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).