4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine

C24H28N6O4S — CID 170166824

IUPAC4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine
SMILESCCONC(=O)c1cnc(Nc2cccc(C)n2)cc1Nc1ccc(C2CC2)cc1N(C)S(=O)O
InChIInChI=1S/C24H28N6O4S/c1-4-34-29-24(31)18-14-25-23(28-22-7-5-6-15(2)26-22)13-20(18)27-19-11-10-17(16-8-9-16)12-21(19)30(3)35(32)33/h5-7,10-14,16H,4,8-9H2,1-3H3,(H,29,31)(H,32,33)(H2,25,26,27,28)
InChIKeyZIZVHURARHMVJD-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.40
Rot. Bonds10

About 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine

4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine (PubChem CID 170166824) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine.

Molecular Properties

Compound Name4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine
PubChem CID170166824
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine
SMILESCCONC(=O)c1cnc(Nc2cccc(C)n2)cc1Nc1ccc(C2CC2)cc1N(C)S(=O)O
InChIInChI=1S/C24H28N6O4S/c1-4-34-29-24(31)18-14-25-23(28-22-7-5-6-15(2)26-22)13-20(18)27-19-11-10-17(16-8-9-16)12-21(19)30(3)35(32)33/h5-7,10-14,16H,4,8-9H2,1-3H3,(H,29,31)(H,32,33)(H2,25,26,27,28)
InChIKeyZIZVHURARHMVJD-UHFFFAOYSA-N
XLogP4.40
TPSA128.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine with MolForge

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Related Compounds

6-[[4-[4-cyclopropyl-2-[methyl(sulfinato)amino]anilino]-5-(ethoxycarbamoyl)-2-pyridinyl]amino]-3-fluoro-2-methylpyridine
CID 170165897
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387672
4-[4-cyclopropyl-2-[methyl(methylsulfinyl)amino]anilino]-N-ethoxy-6-[[(Z)-2-(methylideneamino)ethenyl]sulfanylmethylamino]pyridine-3-carboxamide
CID 170281582
4-[4-cyclopropyl-5-methyl-2-[methyl(methylsulfinyl)amino]anilino]-6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxypyridine-3-carboxamide
CID 170281477
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387509
6-chloro-4-[4-cyclopropyl-2-[ethylsulfonyl(methyl)amino]anilino]-N-ethoxypyridine-3-carboxamide
CID 163387608
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 170281451
4-[[5-(ethoxycarbamoyl)-4-[2-[methyl(sulfinato)amino]-4-propan-2-yloxyanilino]-2-pyridinyl]amino]-2,6-dimethylpyrimidine
CID 170166427
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-[methyl(methylsulfanyl)amino]-4-propan-2-yloxyanilino]pyridine-3-carboxamide
CID 170285405
4-[4-chloro-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-(pyridazin-3-ylamino)pyridine-3-carboxamide
CID 163387368
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-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine?
The IUPAC name of 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine (CID 170166824) is 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine.
What is the SMILES notation for 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine?
The canonical SMILES for 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine is CCONC(=O)c1cnc(Nc2cccc(C)n2)cc1Nc1ccc(C2CC2)cc1N(C)S(=O)O.
What is the InChIKey of 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine?
The InChIKey is ZIZVHURARHMVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-4-34-29-24(31)18-14-25-23(28-22-7-5-6-15(2)26-22)13-20(18)27-19-11-10-17(16-8-9-16)12-21(19)30(3)35(32)33/h5-7,10-14,16H,4,8-9H2,1-3H3,(H,29,31)(H,32,33)(H2,25,26,27,28).
What are the key properties of 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine?
4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine has a molecular weight of 496.59 g/mol, XLogP of 4.40, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine is sourced from PubChem (CID 170166824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).