3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide

C20H23N5O4S — CID 102561684

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4cccnc4n3C)c2)CC(C)O1
InChIInChI=1S/C20H23N5O4S/c1-13-11-25(12-14(2)29-13)30(27,28)16-7-4-6-15(10-16)19(26)23-20-22-17-8-5-9-21-18(17)24(20)3/h4-10,13-14H,11-12H2,1-3H3,(H,22,23,26)
InChIKeyKVGSBQYDQPCXQY-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.02
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide (PubChem CID 102561684) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide
PubChem CID102561684
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4cccnc4n3C)c2)CC(C)O1
InChIInChI=1S/C20H23N5O4S/c1-13-11-25(12-14(2)29-13)30(27,28)16-7-4-6-15(10-16)19(26)23-20-22-17-8-5-9-21-18(17)24(20)3/h4-10,13-14H,11-12H2,1-3H3,(H,22,23,26)
InChIKeyKVGSBQYDQPCXQY-UHFFFAOYSA-N
XLogP2.02
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide with MolForge

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Related Compounds

3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 35034712
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 92535118
N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
CID 43002278
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984470
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2078421

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide (CID 102561684) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4cccnc4n3C)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide?
The InChIKey is KVGSBQYDQPCXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-13-11-25(12-14(2)29-13)30(27,28)16-7-4-6-15(10-16)19(26)23-20-22-17-8-5-9-21-18(17)24(20)3/h4-10,13-14H,11-12H2,1-3H3,(H,22,23,26).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide has a molecular weight of 429.50 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 102561684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).