2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

C18H21N5O4S — CID 148581689

IUPAC2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cnc(N2CCC3OCCC32)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C18H21N5O4S/c1-11-8-13(17(21-10-11)23-6-3-15-14(23)4-7-27-15)18(24)22-12-2-5-20-16(9-12)28(19,25)26/h2,5,8-10,14-15H,3-4,6-7H2,1H3,(H2,19,25,26)(H,20,22,24)
InChIKeyMYWBJPDZGODBKA-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.05
Rot. Bonds4

About 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 148581689) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID148581689
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cnc(N2CCC3OCCC32)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C18H21N5O4S/c1-11-8-13(17(21-10-11)23-6-3-15-14(23)4-7-27-15)18(24)22-12-2-5-20-16(9-12)28(19,25)26/h2,5,8-10,14-15H,3-4,6-7H2,1H3,(H2,19,25,26)(H,20,22,24)
InChIKeyMYWBJPDZGODBKA-UHFFFAOYSA-N
XLogP1.05
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 148581689) is 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is Cc1cnc(N2CCC3OCCC32)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is MYWBJPDZGODBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-11-8-13(17(21-10-11)23-6-3-15-14(23)4-7-27-15)18(24)22-12-2-5-20-16(9-12)28(19,25)26/h2,5,8-10,14-15H,3-4,6-7H2,1H3,(H2,19,25,26)(H,20,22,24).
What are the key properties of 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 148581689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).