N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide

C24H17N5O3S2 — CID 70789536

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C24H17N5O3S2/c30-23(28-24-27-20(15-33-24)16-6-2-1-3-7-16)18-11-13-25-14-19(18)29-34(31,32)21-10-4-8-17-9-5-12-26-22(17)21/h1-15,29H,(H,27,28,30)
InChIKeyMPOLZXQMUXNCCO-UHFFFAOYSA-N
MW487.57 g/mol
LogP4.81
Rot. Bonds6

About N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide

N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide (PubChem CID 70789536) has the molecular formula C24H17N5O3S2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide
PubChem CID70789536
Molecular FormulaC24H17N5O3S2
Molecular Weight487.57 g/mol
Exact Mass487.08
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C24H17N5O3S2/c30-23(28-24-27-20(15-33-24)16-6-2-1-3-7-16)18-11-13-25-14-19(18)29-34(31,32)21-10-4-8-17-9-5-12-26-22(17)21/h1-15,29H,(H,27,28,30)
InChIKeyMPOLZXQMUXNCCO-UHFFFAOYSA-N
XLogP4.81
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide (CID 70789536) is N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide?
The InChIKey is MPOLZXQMUXNCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3S2/c30-23(28-24-27-20(15-33-24)16-6-2-1-3-7-16)18-11-13-25-14-19(18)29-34(31,32)21-10-4-8-17-9-5-12-26-22(17)21/h1-15,29H,(H,27,28,30).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide?
N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-8-ylsulfonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 70789536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).