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

C50H43ClF2N8O8S2 — CID 160535167

IUPACN-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride
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)c1cccnc1
InChIInChI=1S/C25H21FN4O4S.C20H18FN3O2.C5H4ClNO2S/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;6-10(8,9)5-2-1-3-7-4-5/h1-14,17,29H,15-16H2,(H,28,31);1-11H,12-13,22H2,(H,23,25);1-4H
InChIKeyQWBDMIVFEDVWJJ-UHFFFAOYSA-N
MW1021.52 g/mol
LogP8.16
Rot. Bonds16

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

N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride (PubChem CID 160535167) has the molecular formula C50H43ClF2N8O8S2 and a molecular weight of 1021.52 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride
PubChem CID160535167
Molecular FormulaC50H43ClF2N8O8S2
Molecular Weight1021.52 g/mol
Exact Mass1020.23
IUPAC NameN-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride
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)c1cccnc1
InChIInChI=1S/C25H21FN4O4S.C20H18FN3O2.C5H4ClNO2S/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;6-10(8,9)5-2-1-3-7-4-5/h1-14,17,29H,15-16H2,(H,28,31);1-11H,12-13,22H2,(H,23,25);1-4H
InChIKeyQWBDMIVFEDVWJJ-UHFFFAOYSA-N
XLogP8.16
TPSA234.55 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.52
LogP ≤ 58.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride?
The IUPAC name of N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride (CID 160535167) is N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride.
What is the SMILES notation for N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride?
The canonical SMILES for N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride 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)c1cccnc1.
What is the InChIKey of N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride?
The InChIKey is QWBDMIVFEDVWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4S.C20H18FN3O2.C5H4ClNO2S/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;6-10(8,9)5-2-1-3-7-4-5/h1-14,17,29H,15-16H2,(H,28,31);1-11H,12-13,22H2,(H,23,25);1-4H.
What are the key properties of N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride?
N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride has a molecular weight of 1021.52 g/mol, XLogP of 8.16, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide;pyridine-3-sulfonyl chloride is sourced from PubChem (CID 160535167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).