6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide

C20H26ClN5O5S — CID 167101467

IUPAC6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1ccc(N2CCOCC2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H26ClN5O5S/c1-4-31-24-20(27)15-13-22-19(21)12-17(15)23-16-6-5-14(26-7-9-30-10-8-26)11-18(16)25(2)32(3,28)29/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,23)(H,24,27)
InChIKeyOQAFEENGARONCB-UHFFFAOYSA-N
MW483.98 g/mol
LogP2.39
Rot. Bonds8

About 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide

6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide (PubChem CID 167101467) has the molecular formula C20H26ClN5O5S and a molecular weight of 483.98 g/mol. Its IUPAC name is 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
PubChem CID167101467
Molecular FormulaC20H26ClN5O5S
Molecular Weight483.98 g/mol
Exact Mass483.13
IUPAC Name6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1ccc(N2CCOCC2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H26ClN5O5S/c1-4-31-24-20(27)15-13-22-19(21)12-17(15)23-16-6-5-14(26-7-9-30-10-8-26)11-18(16)25(2)32(3,28)29/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,23)(H,24,27)
InChIKeyOQAFEENGARONCB-UHFFFAOYSA-N
XLogP2.39
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
CID 167101402
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
CID 167101548
6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101251
6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387406
6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387608
4-[4-chloro-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-(pyridazin-3-ylamino)pyridine-3-carboxamide
CID 163387368
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387672
N-ethoxy-4-[4-ethynyl-2-[methyl(methylsulfonyl)amino]anilino]-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101509
4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-2-N-cyclopropyl-5-N-ethoxypyridine-2,5-dicarboxamide
CID 163387746
4-[4-cyclopropyl-5-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-6-[(3,3-difluoroazetidine-1-carbonyl)amino]-N-ethoxypyridine-3-carboxamide
CID 167101512
6-chloro-4-[4-cyclopropyl-2-(oxetan-3-yloxy)anilino]-N-ethoxypyridine-3-carboxamide
CID 163387630
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-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide (CID 167101467) is 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide is CCONC(=O)c1cnc(Cl)cc1Nc1ccc(N2CCOCC2)cc1N(C)S(C)(=O)=O.
What is the InChIKey of 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide?
The InChIKey is OQAFEENGARONCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O5S/c1-4-31-24-20(27)15-13-22-19(21)12-17(15)23-16-6-5-14(26-7-9-30-10-8-26)11-18(16)25(2)32(3,28)29/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,23)(H,24,27).
What are the key properties of 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide?
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide has a molecular weight of 483.98 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide is sourced from PubChem (CID 167101467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).