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

C22H23FN6O3S — CID 170281451

IUPAC4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Nc2cccc(F)n2)cc1Nc1ccccc1NS(=O)C1CC1
InChIInChI=1S/C22H23FN6O3S/c1-2-32-28-22(30)15-13-24-21(27-20-9-5-8-19(23)26-20)12-18(15)25-16-6-3-4-7-17(16)29-33(31)14-10-11-14/h3-9,12-14,29H,2,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
InChIKeyJUJJEKFVEIWMRI-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.02
Rot. Bonds10

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

4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 170281451) has the molecular formula C22H23FN6O3S and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID170281451
Molecular FormulaC22H23FN6O3S
Molecular Weight470.53 g/mol
Exact Mass470.15
IUPAC Name4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCCONC(=O)c1cnc(Nc2cccc(F)n2)cc1Nc1ccccc1NS(=O)C1CC1
InChIInChI=1S/C22H23FN6O3S/c1-2-32-28-22(30)15-13-24-21(27-20-9-5-8-19(23)26-20)12-18(15)25-16-6-3-4-7-17(16)29-33(31)14-10-11-14/h3-9,12-14,29H,2,10-11H2,1H3,(H,28,30)(H2,24,25,26,27)
InChIKeyJUJJEKFVEIWMRI-UHFFFAOYSA-N
XLogP4.02
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

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
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387509
4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide
CID 163387560
4-[4-cyclopropyl-2-(methanesulfonamido)anilino]-N-ethoxy-6-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 175304202
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-[ethylsulfonyl(methyl)amino]-4-fluoroanilino]pyridine-3-carboxamide
CID 163387356
4-[4-cyclopropyl-5-methyl-2-[methyl(methylsulfinyl)amino]anilino]-6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxypyridine-3-carboxamide
CID 170281477
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-(methanesulfonamido)-4-methylanilino]pyridine-3-carboxamide
CID 175304331
2-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 171399370
4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-[[3-fluoro-2-(fluoromethyl)propanoyl]amino]pyridine-3-carboxamide
CID 170281954
N-ethoxy-4-[4-ethynyl-2-[methyl(methylsulfonyl)amino]anilino]-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101509

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide (CID 170281451) is 4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide is CCONC(=O)c1cnc(Nc2cccc(F)n2)cc1Nc1ccccc1NS(=O)C1CC1.
What is the InChIKey of 4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is JUJJEKFVEIWMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3S/c1-2-32-28-22(30)15-13-24-21(27-20-9-5-8-19(23)26-20)12-18(15)25-16-6-3-4-7-17(16)29-33(31)14-10-11-14/h3-9,12-14,29H,2,10-11H2,1H3,(H,28,30)(H2,24,25,26,27).
What are the key properties of 4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 4.02, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 170281451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).