N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide

C21H24N6O2S — CID 167101481

IUPACN-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Nc2cccc(C)n2)cc1Nc1ccccc1N(C)SC
InChIInChI=1S/C21H24N6O2S/c1-14-8-7-11-19(23-14)25-20-12-17(15(13-22-20)21(28)26-29-3)24-16-9-5-6-10-18(16)27(2)30-4/h5-13H,1-4H3,(H,26,28)(H2,22,23,24,25)
InChIKeyDEFWENNNEWAHDR-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.28
Rot. Bonds8

About N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide

N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 167101481) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID167101481
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC NameN-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Nc2cccc(C)n2)cc1Nc1ccccc1N(C)SC
InChIInChI=1S/C21H24N6O2S/c1-14-8-7-11-19(23-14)25-20-12-17(15(13-22-20)21(28)26-29-3)24-16-9-5-6-10-18(16)27(2)30-4/h5-13H,1-4H3,(H,26,28)(H2,22,23,24,25)
InChIKeyDEFWENNNEWAHDR-UHFFFAOYSA-N
XLogP4.28
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[4-cyclopropyl-2-[methyl(sulfino)amino]anilino]-5-(ethoxycarbamoyl)-2-[(6-methyl-2-pyridinyl)amino]pyridine
CID 170166824
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
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-[methyl(methylsulfanyl)amino]-4-propan-2-yloxyanilino]pyridine-3-carboxamide
CID 170285405
4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
CID 170281331
6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387276
4-[2-(cyclopropylsulfinylamino)anilino]-N-ethoxy-6-[(6-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 170281451
2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide
CID 163387605
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-[ethylsulfonyl(methyl)amino]-4-fluoroanilino]pyridine-3-carboxamide
CID 163387356
4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
CID 106760088
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide (CID 167101481) is N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide is CONC(=O)c1cnc(Nc2cccc(C)n2)cc1Nc1ccccc1N(C)SC.
What is the InChIKey of N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is DEFWENNNEWAHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-14-8-7-11-19(23-14)25-20-12-17(15(13-22-20)21(28)26-29-3)24-16-9-5-6-10-18(16)27(2)30-4/h5-13H,1-4H3,(H,26,28)(H2,22,23,24,25).
What are the key properties of N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 167101481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).