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

C21H23ClN6O4S — CID 170281331

IUPAC4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Nc2cccnc2OC)cc1Nc1cccc(Cl)c1N(C)S(C)=O
InChIInChI=1S/C21H23ClN6O4S/c1-28(33(4)30)19-14(22)7-5-8-15(19)25-17-11-18(24-12-13(17)20(29)27-32-3)26-16-9-6-10-23-21(16)31-2/h5-12H,1-4H3,(H,27,29)(H2,24,25,26)
InChIKeyXIYSLCQVNSFSPN-UHFFFAOYSA-N
MW490.97 g/mol
LogP3.65
Rot. Bonds9

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

4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 170281331) has the molecular formula C21H23ClN6O4S and a molecular weight of 490.97 g/mol. Its IUPAC name is 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID170281331
Molecular FormulaC21H23ClN6O4S
Molecular Weight490.97 g/mol
Exact Mass490.12
IUPAC Name4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCONC(=O)c1cnc(Nc2cccnc2OC)cc1Nc1cccc(Cl)c1N(C)S(C)=O
InChIInChI=1S/C21H23ClN6O4S/c1-28(33(4)30)19-14(22)7-5-8-15(19)25-17-11-18(24-12-13(17)20(29)27-32-3)26-16-9-6-10-23-21(16)31-2/h5-12H,1-4H3,(H,27,29)(H2,24,25,26)
InChIKeyXIYSLCQVNSFSPN-UHFFFAOYSA-N
XLogP3.65
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153800
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide
CID 90153827
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101479
4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide
CID 163387560
3-chloro-N-(2-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 66484881
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]-3-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide
CID 167101121
6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 170281274
2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 135163292
6-(cyclopropanecarbonylamino)-N-methoxy-4-[[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 170164285
4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide (CID 170281331) is 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide is CONC(=O)c1cnc(Nc2cccnc2OC)cc1Nc1cccc(Cl)c1N(C)S(C)=O.
What is the InChIKey of 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is XIYSLCQVNSFSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O4S/c1-28(33(4)30)19-14(22)7-5-8-15(19)25-17-11-18(24-12-13(17)20(29)27-32-3)26-16-9-6-10-23-21(16)31-2/h5-12H,1-4H3,(H,27,29)(H2,24,25,26).
What are the key properties of 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 490.97 g/mol, XLogP of 3.65, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-[methyl(methylsulfinyl)amino]anilino]-N-methoxy-6-[(2-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 170281331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).