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

C25H20FN5O4S — CID 57382873

IUPACN-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)C1)c1ccccn1
InChIInChI=1S/C25H20FN5O4S/c26-19-13-17(25(33)31-14-18(15-31)29-24(32)21-7-1-2-11-27-21)9-10-20(19)30-36(34,35)22-8-3-5-16-6-4-12-28-23(16)22/h1-13,18,30H,14-15H2,(H,29,32)
InChIKeyMIWOZDQEFXGCTE-UHFFFAOYSA-N
MW505.53 g/mol
LogP2.82
Rot. Bonds6

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

N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide (PubChem CID 57382873) has the molecular formula C25H20FN5O4S and a molecular weight of 505.53 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide
PubChem CID57382873
Molecular FormulaC25H20FN5O4S
Molecular Weight505.53 g/mol
Exact Mass505.12
IUPAC NameN-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)C1)c1ccccn1
InChIInChI=1S/C25H20FN5O4S/c26-19-13-17(25(33)31-14-18(15-31)29-24(32)21-7-1-2-11-27-21)9-10-20(19)30-36(34,35)22-8-3-5-16-6-4-12-28-23(16)22/h1-13,18,30H,14-15H2,(H,29,32)
InChIKeyMIWOZDQEFXGCTE-UHFFFAOYSA-N
XLogP2.82
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-fluoro-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-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide (CID 57382873) is N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide is O=C(NC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)C1)c1ccccn1.
What is the InChIKey of N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide?
The InChIKey is MIWOZDQEFXGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O4S/c26-19-13-17(25(33)31-14-18(15-31)29-24(32)21-7-1-2-11-27-21)9-10-20(19)30-36(34,35)22-8-3-5-16-6-4-12-28-23(16)22/h1-13,18,30H,14-15H2,(H,29,32).
What are the key properties of N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide?
N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide has a molecular weight of 505.53 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 57382873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).