6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide

C51H49N13O4S — CID 87426360

IUPAC6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(-c4cnccn4)c3)c(C(N)=O)cn2)cc1.CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(-c4cscn4)c3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C26H25N7O2.C25H24N6O2S/c1-33(2)26(35)18-6-8-20(9-7-18)32-24-13-22(21(15-31-24)25(27)34)30-14-17-4-3-5-19(12-17)23-16-28-10-11-29-23;1-31(2)25(33)17-6-8-19(9-7-17)30-23-11-21(20(13-28-23)24(26)32)27-12-16-4-3-5-18(10-16)22-14-34-15-29-22/h3-13,15-16H,14H2,1-2H3,(H2,27,34)(H2,30,31,32);3-11,13-15H,12H2,1-2H3,(H2,26,32)(H2,27,28,30)
InChIKeyQSDNDOZUMXYNJA-UHFFFAOYSA-N
MW940.11 g/mol
LogP8.06
Rot. Bonds16

About 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide

6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 87426360) has the molecular formula C51H49N13O4S and a molecular weight of 940.11 g/mol. Its IUPAC name is 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID87426360
Molecular FormulaC51H49N13O4S
Molecular Weight940.11 g/mol
Exact Mass939.38
IUPAC Name6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(-c4cnccn4)c3)c(C(N)=O)cn2)cc1.CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(-c4cscn4)c3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C26H25N7O2.C25H24N6O2S/c1-33(2)26(35)18-6-8-20(9-7-18)32-24-13-22(21(15-31-24)25(27)34)30-14-17-4-3-5-19(12-17)23-16-28-10-11-29-23;1-31(2)25(33)17-6-8-19(9-7-17)30-23-11-21(20(13-28-23)24(26)32)27-12-16-4-3-5-18(10-16)22-14-34-15-29-22/h3-13,15-16H,14H2,1-2H3,(H2,27,34)(H2,30,31,32);3-11,13-15H,12H2,1-2H3,(H2,26,32)(H2,27,28,30)
InChIKeyQSDNDOZUMXYNJA-UHFFFAOYSA-N
XLogP8.06
TPSA239.37 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500940.11
LogP ≤ 58.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide (CID 87426360) is 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(-c4cnccn4)c3)c(C(N)=O)cn2)cc1.CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(-c4cscn4)c3)c(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is QSDNDOZUMXYNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2.C25H24N6O2S/c1-33(2)26(35)18-6-8-20(9-7-18)32-24-13-22(21(15-31-24)25(27)34)30-14-17-4-3-5-19(12-17)23-16-28-10-11-29-23;1-31(2)25(33)17-6-8-19(9-7-17)30-23-11-21(20(13-28-23)24(26)32)27-12-16-4-3-5-18(10-16)22-14-34-15-29-22/h3-13,15-16H,14H2,1-2H3,(H2,27,34)(H2,30,31,32);3-11,13-15H,12H2,1-2H3,(H2,26,32)(H2,27,28,30).
What are the key properties of 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide?
6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 940.11 g/mol, XLogP of 8.06, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyrazin-2-ylphenyl)methylamino]pyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[[3-(1,3-thiazol-4-yl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 87426360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).