N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide

C25H22ClN5O4S — CID 121273391

IUPACN-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3Nc3ccccc3)c(Cl)n2)n1
InChIInChI=1S/C25H22ClN5O4S/c1-3-35-22-15-16(2)14-20(29-22)19-12-11-18(23(26)30-19)25(32)31-36(33,34)21-10-7-13-27-24(21)28-17-8-5-4-6-9-17/h4-15H,3H2,1-2H3,(H,27,28)(H,31,32)
InChIKeyCLKWSCDVFIDUCB-UHFFFAOYSA-N
MW524.00 g/mol
LogP4.76
Rot. Bonds8

About N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide

N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 121273391) has the molecular formula C25H22ClN5O4S and a molecular weight of 524.00 g/mol. Its IUPAC name is N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID121273391
Molecular FormulaC25H22ClN5O4S
Molecular Weight524.00 g/mol
Exact Mass523.11
IUPAC NameN-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3Nc3ccccc3)c(Cl)n2)n1
InChIInChI=1S/C25H22ClN5O4S/c1-3-35-22-15-16(2)14-20(29-22)19-12-11-18(23(26)30-19)25(32)31-36(33,34)21-10-7-13-27-24(21)28-17-8-5-4-6-9-17/h4-15H,3H2,1-2H3,(H,27,28)(H,31,32)
InChIKeyCLKWSCDVFIDUCB-UHFFFAOYSA-N
XLogP4.76
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.00
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide (CID 121273391) is N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide is CCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3Nc3ccccc3)c(Cl)n2)n1.
What is the InChIKey of N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is CLKWSCDVFIDUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O4S/c1-3-35-22-15-16(2)14-20(29-22)19-12-11-18(23(26)30-19)25(32)31-36(33,34)21-10-7-13-27-24(21)28-17-8-5-4-6-9-17/h4-15H,3H2,1-2H3,(H,27,28)(H,31,32).
What are the key properties of N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide?
N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 524.00 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-anilino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121273391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).