N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide

C51H44ClF2N7O8S2 — CID 158839460

IUPACN-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide
SMILESNCCNC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.O=C(NCCNS(=O)(=O)c1cccnc1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C25H21FN4O4S.C20H18FN3O2.C6H5ClO2S/c26-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)23-4-1-5-24(30-23)25(31)28-15-16-29-35(32,33)22-3-2-14-27-17-22;21-15-6-10-17(11-7-15)26-16-8-4-14(5-9-16)18-2-1-3-19(24-18)20(25)23-13-12-22;7-10(8,9)6-4-2-1-3-5-6/h1-14,17,29H,15-16H2,(H,28,31);1-11H,12-13,22H2,(H,23,25);1-5H
InChIKeyIYAZTLYSBVFWLR-UHFFFAOYSA-N
MW1020.54 g/mol
LogP8.77
Rot. Bonds16

About N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide

N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide (PubChem CID 158839460) has the molecular formula C51H44ClF2N7O8S2 and a molecular weight of 1020.54 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide
PubChem CID158839460
Molecular FormulaC51H44ClF2N7O8S2
Molecular Weight1020.54 g/mol
Exact Mass1019.23
IUPAC NameN-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide
SMILESNCCNC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.O=C(NCCNS(=O)(=O)c1cccnc1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C25H21FN4O4S.C20H18FN3O2.C6H5ClO2S/c26-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)23-4-1-5-24(30-23)25(31)28-15-16-29-35(32,33)22-3-2-14-27-17-22;21-15-6-10-17(11-7-15)26-16-8-4-14(5-9-16)18-2-1-3-19(24-18)20(25)23-13-12-22;7-10(8,9)6-4-2-1-3-5-6/h1-14,17,29H,15-16H2,(H,28,31);1-11H,12-13,22H2,(H,23,25);1-5H
InChIKeyIYAZTLYSBVFWLR-UHFFFAOYSA-N
XLogP8.77
TPSA221.66 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001020.54
LogP ≤ 58.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide (CID 158839460) is N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide is NCCNC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.O=C(NCCNS(=O)(=O)c1cccnc1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.O=S(=O)(Cl)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is IYAZTLYSBVFWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4S.C20H18FN3O2.C6H5ClO2S/c26-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)23-4-1-5-24(30-23)25(31)28-15-16-29-35(32,33)22-3-2-14-27-17-22;21-15-6-10-17(11-7-15)26-16-8-4-14(5-9-16)18-2-1-3-19(24-18)20(25)23-13-12-22;7-10(8,9)6-4-2-1-3-5-6/h1-14,17,29H,15-16H2,(H,28,31);1-11H,12-13,22H2,(H,23,25);1-5H.
What are the key properties of N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 1020.54 g/mol, XLogP of 8.77, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;benzenesulfonyl chloride;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 158839460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).