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

C15H16ClFN4O4S — CID 163387290

IUPAC6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Cl)cc1Nc1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C15H16ClFN4O4S/c1-21(26(3,23)24)13-6-9(17)4-5-11(13)19-12-7-14(16)18-8-10(12)15(22)20-25-2/h4-8H,1-3H3,(H,18,19)(H,20,22)
InChIKeyQRCCIXSWRGTMCR-UHFFFAOYSA-N
MW402.84 g/mol
LogP2.30
Rot. Bonds6

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

6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide (PubChem CID 163387290) has the molecular formula C15H16ClFN4O4S and a molecular weight of 402.84 g/mol. Its IUPAC name is 6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
PubChem CID163387290
Molecular FormulaC15H16ClFN4O4S
Molecular Weight402.84 g/mol
Exact Mass402.06
IUPAC Name6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Cl)cc1Nc1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C15H16ClFN4O4S/c1-21(26(3,23)24)13-6-9(17)4-5-11(13)19-12-7-14(16)18-8-10(12)15(22)20-25-2/h4-8H,1-3H3,(H,18,19)(H,20,22)
InChIKeyQRCCIXSWRGTMCR-UHFFFAOYSA-N
XLogP2.30
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 52.30
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-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-N-ethoxy-4-[2-[methyl(methylsulfonyl)amino]-4-morpholin-4-ylanilino]pyridine-3-carboxamide
CID 167101467
6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 170281274
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101479
2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide
CID 163387605
6-chloro-4-[5-chloro-4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387406
6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 167101417
N-ethoxy-4-[4-ethynyl-2-[methyl(methylsulfonyl)amino]anilino]-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101509
6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387608
6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387276
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide (CID 163387290) is 6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide is CONC(=O)c1cnc(Cl)cc1Nc1ccc(F)cc1N(C)S(C)(=O)=O.
What is the InChIKey of 6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
The InChIKey is QRCCIXSWRGTMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O4S/c1-21(26(3,23)24)13-6-9(17)4-5-11(13)19-12-7-14(16)18-8-10(12)15(22)20-25-2/h4-8H,1-3H3,(H,18,19)(H,20,22).
What are the key properties of 6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide has a molecular weight of 402.84 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide is sourced from PubChem (CID 163387290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).