2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

C24H18N6O2S — CID 59860011

IUPAC2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C24H18N6O2S/c25-24-23(33(31,32)30-19-5-10-27-11-6-19)14-18(15-29-24)17-1-2-22-21(13-17)20(7-12-28-22)16-3-8-26-9-4-16/h1-15H,(H2,25,29)(H,27,30)
InChIKeyDLODNNXIZBQZMZ-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.14
Rot. Bonds5

About 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (PubChem CID 59860011) has the molecular formula C24H18N6O2S and a molecular weight of 454.52 g/mol. Its IUPAC name is 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
PubChem CID59860011
Molecular FormulaC24H18N6O2S
Molecular Weight454.52 g/mol
Exact Mass454.12
IUPAC Name2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C24H18N6O2S/c25-24-23(33(31,32)30-19-5-10-27-11-6-19)14-18(15-29-24)17-1-2-22-21(13-17)20(7-12-28-22)16-3-8-26-9-4-16/h1-15H,(H2,25,29)(H,27,30)
InChIKeyDLODNNXIZBQZMZ-UHFFFAOYSA-N
XLogP4.14
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (CID 59860011) is 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)Nc1ccncc1.
What is the InChIKey of 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The InChIKey is DLODNNXIZBQZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2S/c25-24-23(33(31,32)30-19-5-10-27-11-6-19)14-18(15-29-24)17-1-2-22-21(13-17)20(7-12-28-22)16-3-8-26-9-4-16/h1-15H,(H2,25,29)(H,27,30).
What are the key properties of 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide has a molecular weight of 454.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 59860011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).