6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide

C17H20ClFN4O4S — CID 167101251

IUPAC6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1cc(F)c(C)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C17H20ClFN4O4S/c1-5-27-22-17(24)11-9-20-16(18)8-13(11)21-14-7-12(19)10(2)6-15(14)23(3)28(4,25)26/h6-9H,5H2,1-4H3,(H,20,21)(H,22,24)
InChIKeyRBQMTVHEAMHNOG-UHFFFAOYSA-N
MW430.89 g/mol
LogP3.00
Rot. Bonds7

About 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide

6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide (PubChem CID 167101251) has the molecular formula C17H20ClFN4O4S and a molecular weight of 430.89 g/mol. Its IUPAC name is 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
PubChem CID167101251
Molecular FormulaC17H20ClFN4O4S
Molecular Weight430.89 g/mol
Exact Mass430.09
IUPAC Name6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Cl)cc1Nc1cc(F)c(C)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C17H20ClFN4O4S/c1-5-27-22-17(24)11-9-20-16(18)8-13(11)21-14-7-12(19)10(2)6-15(14)23(3)28(4,25)26/h6-9H,5H2,1-4H3,(H,20,21)(H,22,24)
InChIKeyRBQMTVHEAMHNOG-UHFFFAOYSA-N
XLogP3.00
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 53.00
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'}

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Related Compounds

6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387406
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
CID 167101548
6-chloro-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
CID 167101467
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387290
6-[(3,5-difluoro-2-pyridinyl)amino]-N-ethoxy-4-[5-fluoro-2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxamide
CID 163387748
N-ethoxy-4-[5-fluoro-2-[methyl(methylsulfonyl)amino]-4-propan-2-ylanilino]-6-[(6-fluoro-2-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387624
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-5-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-6-[(3,3-difluoroazetidine-1-carbonyl)amino]-N-ethoxypyridine-3-carboxamide
CID 167101512
4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-2-N-cyclopropyl-5-N-ethoxypyridine-2,5-dicarboxamide
CID 163387746
N-ethoxy-4-[4-ethynyl-2-[methyl(methylsulfonyl)amino]anilino]-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101509
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387672

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide (CID 167101251) is 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide is CCONC(=O)c1cnc(Cl)cc1Nc1cc(F)c(C)cc1N(C)S(C)(=O)=O.
What is the InChIKey of 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide?
The InChIKey is RBQMTVHEAMHNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O4S/c1-5-27-22-17(24)11-9-20-16(18)8-13(11)21-14-7-12(19)10(2)6-15(14)23(3)28(4,25)26/h6-9H,5H2,1-4H3,(H,20,21)(H,22,24).
What are the key properties of 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide?
6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide has a molecular weight of 430.89 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethoxy-4-[5-fluoro-4-methyl-2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 167101251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).