N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide

C26H23N5O4S — CID 57382741

IUPACN-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)N2CC(NC(=O)c3ccccn3)C2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H23N5O4S/c1-17-14-19(26(33)31-15-20(16-31)29-25(32)22-8-2-3-12-27-22)10-11-21(17)30-36(34,35)23-9-4-6-18-7-5-13-28-24(18)23/h2-14,20,30H,15-16H2,1H3,(H,29,32)
InChIKeyXVXKYFXKWDRQFP-UHFFFAOYSA-N
MW501.57 g/mol
LogP2.99
Rot. Bonds6

About N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide

N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide (PubChem CID 57382741) has the molecular formula C26H23N5O4S and a molecular weight of 501.57 g/mol. Its IUPAC name is N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide
PubChem CID57382741
Molecular FormulaC26H23N5O4S
Molecular Weight501.57 g/mol
Exact Mass501.15
IUPAC NameN-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)N2CC(NC(=O)c3ccccn3)C2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H23N5O4S/c1-17-14-19(26(33)31-15-20(16-31)29-25(32)22-8-2-3-12-27-22)10-11-21(17)30-36(34,35)23-9-4-6-18-7-5-13-28-24(18)23/h2-14,20,30H,15-16H2,1H3,(H,29,32)
InChIKeyXVXKYFXKWDRQFP-UHFFFAOYSA-N
XLogP2.99
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]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-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide (CID 57382741) is N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide is Cc1cc(C(=O)N2CC(NC(=O)c3ccccn3)C2)ccc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide?
The InChIKey is XVXKYFXKWDRQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4S/c1-17-14-19(26(33)31-15-20(16-31)29-25(32)22-8-2-3-12-27-22)10-11-21(17)30-36(34,35)23-9-4-6-18-7-5-13-28-24(18)23/h2-14,20,30H,15-16H2,1H3,(H,29,32).
What are the key properties of N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide?
N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide has a molecular weight of 501.57 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 57382741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).