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

C25H21ClN4O2 — CID 59374274

IUPACN-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C25H21ClN4O2/c26-22-8-2-1-6-18(22)14-17-28-24(31)21-7-5-16-29-25(21)32-20-12-10-19(11-13-20)30-23-9-3-4-15-27-23/h1-13,15-16H,14,17H2,(H,27,30)(H,28,31)
InChIKeyGPQYLYGLQMJOIW-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.64
Rot. Bonds8

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

N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374274) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374274
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C25H21ClN4O2/c26-22-8-2-1-6-18(22)14-17-28-24(31)21-7-5-16-29-25(21)32-20-12-10-19(11-13-20)30-23-9-3-4-15-27-23/h1-13,15-16H,14,17H2,(H,27,30)(H,28,31)
InChIKeyGPQYLYGLQMJOIW-UHFFFAOYSA-N
XLogP5.64
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374274) is N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is O=C(NCCc1ccccc1Cl)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is GPQYLYGLQMJOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c26-22-8-2-1-6-18(22)14-17-28-24(31)21-7-5-16-29-25(21)32-20-12-10-19(11-13-20)30-23-9-3-4-15-27-23/h1-13,15-16H,14,17H2,(H,27,30)(H,28,31).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 444.92 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).