2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide

C22H20N4O5S — CID 55762233

IUPAC2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C1CN(S(=O)(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)c2)CCN1
InChIInChI=1S/C22H20N4O5S/c27-20-14-26(12-11-23-20)32(30,31)17-8-4-7-16(13-17)24-21(28)18-9-10-19(25-22(18)29)15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,23,27)(H,24,28)(H,25,29)
InChIKeyTUWBRFNZQCMESP-UHFFFAOYSA-N
MW452.49 g/mol
LogP1.41
Rot. Bonds5

About 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide

2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 55762233) has the molecular formula C22H20N4O5S and a molecular weight of 452.49 g/mol. Its IUPAC name is 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID55762233
Molecular FormulaC22H20N4O5S
Molecular Weight452.49 g/mol
Exact Mass452.12
IUPAC Name2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C1CN(S(=O)(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)c2)CCN1
InChIInChI=1S/C22H20N4O5S/c27-20-14-26(12-11-23-20)32(30,31)17-8-4-7-16(13-17)24-21(28)18-9-10-19(25-22(18)29)15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,23,27)(H,24,28)(H,25,29)
InChIKeyTUWBRFNZQCMESP-UHFFFAOYSA-N
XLogP1.41
TPSA128.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(benzenesulfonamido)phenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 60514402
(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55664739
(2S)-2-amino-3,3-dimethyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]butanamide
CID 119713483
2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540459
3-[4-(3-acetylphenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 55758399
2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride
CID 119713498
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55664497
1-(3-chlorophenyl)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
CID 55924131
N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31983039
7-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]heptanamide;hydrochloride
CID 119713468
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55755898

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide (CID 55762233) is 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide is O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)c2)CCN1.
What is the InChIKey of 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is TUWBRFNZQCMESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S/c27-20-14-26(12-11-23-20)32(30,31)17-8-4-7-16(13-17)24-21(28)18-9-10-19(25-22(18)29)15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide?
2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55762233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).