3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide

C19H15N5O3S — CID 53389424

IUPAC3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCS(=O)(=O)c1cccc(-n2cnc3ccc(C(=O)Nc4cccnc4)nc32)c1
InChIInChI=1S/C19H15N5O3S/c1-28(26,27)15-6-2-5-14(10-15)24-12-21-16-7-8-17(23-18(16)24)19(25)22-13-4-3-9-20-11-13/h2-12H,1H3,(H,22,25)
InChIKeyXLZVWJVMYHJSIN-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.47
Rot. Bonds4

About 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide

3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 53389424) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID53389424
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCS(=O)(=O)c1cccc(-n2cnc3ccc(C(=O)Nc4cccnc4)nc32)c1
InChIInChI=1S/C19H15N5O3S/c1-28(26,27)15-6-2-5-14(10-15)24-12-21-16-7-8-17(23-18(16)24)19(25)22-13-4-3-9-20-11-13/h2-12H,1H3,(H,22,25)
InChIKeyXLZVWJVMYHJSIN-UHFFFAOYSA-N
XLogP2.47
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 59631670
N-pyridin-3-yl-3-sulfamoylbenzamide
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N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
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7-fluoro-N-pyridin-3-ylquinoline-2-carboxamide
CID 110485373
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
1-phenyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 100825086
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 1491423
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
CID 142362008
6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 163252988
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide (CID 53389424) is 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide is CS(=O)(=O)c1cccc(-n2cnc3ccc(C(=O)Nc4cccnc4)nc32)c1.
What is the InChIKey of 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is XLZVWJVMYHJSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-28(26,27)15-6-2-5-14(10-15)24-12-21-16-7-8-17(23-18(16)24)19(25)22-13-4-3-9-20-11-13/h2-12H,1H3,(H,22,25).
What are the key properties of 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide?
3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenyl)-N-pyridin-3-ylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 53389424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).