4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide

C23H25FN6O4S — CID 175304202

IUPAC4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Nc2cncc(F)c2)cc1Nc1ccc(C2CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H25FN6O4S/c1-3-34-29-23(31)18-13-26-22(27-17-9-16(24)11-25-12-17)10-20(18)28-19-7-6-15(14-4-5-14)8-21(19)30-35(2,32)33/h6-14,30H,3-5H2,1-2H3,(H,29,31)(H2,26,27,28)
InChIKeyHMPFWCAFYXVZSW-UHFFFAOYSA-N
MW500.56 g/mol
LogP4.03
Rot. Bonds10

About 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide

4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 175304202) has the molecular formula C23H25FN6O4S and a molecular weight of 500.56 g/mol. Its IUPAC name is 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID175304202
Molecular FormulaC23H25FN6O4S
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC Name4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Nc2cncc(F)c2)cc1Nc1ccc(C2CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H25FN6O4S/c1-3-34-29-23(31)18-13-26-22(27-17-9-16(24)11-25-12-17)10-20(18)28-19-7-6-15(14-4-5-14)8-21(19)30-35(2,32)33/h6-14,30H,3-5H2,1-2H3,(H,29,31)(H2,26,27,28)
InChIKeyHMPFWCAFYXVZSW-UHFFFAOYSA-N
XLogP4.03
TPSA134.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387509
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387672
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-(methanesulfonamido)-4-methylanilino]pyridine-3-carboxamide
CID 175304331
6-[[4-[4-cyclopropyl-2-[methyl(sulfinato)amino]anilino]-5-(ethoxycarbamoyl)-2-pyridinyl]amino]-3-fluoro-2-methylpyridine
CID 170165897
6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387608
4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine
CID 170166824
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
4-[4-cyclopropyl-2-[methyl(methylsulfinyl)amino]anilino]-N-ethoxy-6-[[(Z)-2-(methylideneamino)ethenyl]sulfanylmethylamino]pyridine-3-carboxamide
CID 170281582
N-ethoxy-4-[4-ethynyl-2-[methyl(methylsulfonyl)amino]anilino]-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101509
4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 170281451
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 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (CID 175304202) is 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is CCONC(=O)c1cnc(Nc2cncc(F)c2)cc1Nc1ccc(C2CC2)cc1NS(C)(=O)=O.
What is the InChIKey of 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is HMPFWCAFYXVZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O4S/c1-3-34-29-23(31)18-13-26-22(27-17-9-16(24)11-25-12-17)10-20(18)28-19-7-6-15(14-4-5-14)8-21(19)30-35(2,32)33/h6-14,30H,3-5H2,1-2H3,(H,29,31)(H2,26,27,28).
What are the key properties of 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 4.03, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 175304202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).