6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide

C20H25ClN4O4S — CID 163387608

IUPAC6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1ccc(C2CC2)cc1N(C)S(=O)(=O)CC
InChIInChI=1S/C20H25ClN4O4S/c1-4-29-24-20(26)15-12-22-19(21)11-17(15)23-16-9-8-14(13-6-7-13)10-18(16)25(3)30(27,28)5-2/h8-13H,4-7H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyJKZKTFSLZHZHSV-UHFFFAOYSA-N
MW452.96 g/mol
LogP3.82
Rot. Bonds9

About 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide

6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide (PubChem CID 163387608) has the molecular formula C20H25ClN4O4S and a molecular weight of 452.96 g/mol. Its IUPAC name is 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
PubChem CID163387608
Molecular FormulaC20H25ClN4O4S
Molecular Weight452.96 g/mol
Exact Mass452.13
IUPAC Name6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1ccc(C2CC2)cc1N(C)S(=O)(=O)CC
InChIInChI=1S/C20H25ClN4O4S/c1-4-29-24-20(26)15-12-22-19(21)11-17(15)23-16-9-8-14(13-6-7-13)10-18(16)25(3)30(27,28)5-2/h8-13H,4-7H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyJKZKTFSLZHZHSV-UHFFFAOYSA-N
XLogP3.82
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-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

6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387406
6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide
CID 163387630
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387672
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
CID 167101548
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387509
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
CID 167101467
6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101251
4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine
CID 170166824
6-[[4-[4-cyclopropyl-2-[methyl(sulfinato)amino]anilino]-5-(ethoxycarbamoyl)-2-pyridinyl]amino]-3-fluoro-2-methylpyridine
CID 170165897
4-[4-cyclopropyl-2-[methyl(methylsulfinyl)amino]anilino]-N-ethoxy-6-[[(Z)-2-(methylideneamino)ethenyl]sulfanylmethylamino]pyridine-3-carboxamide
CID 170281582
4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-2-N-cyclopropyl-5-N-ethoxypyridine-2,5-dicarboxamide
CID 163387746
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-[ethylsulfonyl(methyl)amino]-4-fluoroanilino]pyridine-3-carboxamide
CID 163387356

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide (CID 163387608) is 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide is CCONC(=O)c1cnc(Cl)cc1Nc1ccc(C2CC2)cc1N(C)S(=O)(=O)CC.
What is the InChIKey of 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide?
The InChIKey is JKZKTFSLZHZHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S/c1-4-29-24-20(26)15-12-22-19(21)11-17(15)23-16-9-8-14(13-6-7-13)10-18(16)25(3)30(27,28)5-2/h8-13H,4-7H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide?
6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide has a molecular weight of 452.96 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 163387608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).