N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide

C21H16N4O3S — CID 139220768

IUPACN-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccncc1
InChIInChI=1S/C21H16N4O3S/c26-21(16-10-12-22-13-11-16)24-23-14-17-15-25(20-9-5-4-8-19(17)20)29(27,28)18-6-2-1-3-7-18/h1-15H,(H,24,26)/b23-14-
InChIKeyYENYUYACGOFCKQ-UCQKPKSFSA-N
MW404.45 g/mol
LogP3.04
Rot. Bonds5

About N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 139220768) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID139220768
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC NameN-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccncc1
InChIInChI=1S/C21H16N4O3S/c26-21(16-10-12-22-13-11-16)24-23-14-17-15-25(20-9-5-4-8-19(17)20)29(27,28)18-6-2-1-3-7-18/h1-15H,(H,24,26)/b23-14-
InChIKeyYENYUYACGOFCKQ-UCQKPKSFSA-N
XLogP3.04
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-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-[(E)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 44507700
N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 25251365
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-[(Z)-[1-[(2S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 40542324
methyl (E)-3-[1-(benzenesulfonyl)indol-3-yl]prop-2-enoate
CID 13163106
N-[(2-tert-butylsulfonylphenyl)methylideneamino]pyridine-4-carboxamide
CID 4605213
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
4-iodo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 53371356
N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]benzamide
CID 9058755

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide (CID 139220768) is N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C\c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccncc1.
What is the InChIKey of N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is YENYUYACGOFCKQ-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H16N4O3S/c26-21(16-10-12-22-13-11-16)24-23-14-17-15-25(20-9-5-4-8-19(17)20)29(27,28)18-6-2-1-3-7-18/h1-15H,(H,24,26)/b23-14-.
What are the key properties of N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 139220768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).