2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

C23H20N4O2S — CID 59374218

IUPAC2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H20N4O2S/c28-22(25-15-12-19-5-4-16-30-19)20-6-3-14-26-23(20)29-18-10-8-17(9-11-18)27-21-7-1-2-13-24-21/h1-11,13-14,16H,12,15H2,(H,24,27)(H,25,28)
InChIKeyXEWXZAFMGLZRFU-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.05
Rot. Bonds8

About 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 59374218) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID59374218
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H20N4O2S/c28-22(25-15-12-19-5-4-16-30-19)20-6-3-14-26-23(20)29-18-10-8-17(9-11-18)27-21-7-1-2-13-24-21/h1-11,13-14,16H,12,15H2,(H,24,27)(H,25,28)
InChIKeyXEWXZAFMGLZRFU-UHFFFAOYSA-N
XLogP5.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 59374218) is 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is O=C(NCCc1cccs1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is XEWXZAFMGLZRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-22(25-15-12-19-5-4-16-30-19)20-6-3-14-26-23(20)29-18-10-8-17(9-11-18)27-21-7-1-2-13-24-21/h1-11,13-14,16H,12,15H2,(H,24,27)(H,25,28).
What are the key properties of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59374218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).