3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide

C19H21N5O4S — CID 137404021

IUPAC3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide
SMILESCNC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H21N5O4S/c1-20-17(25)15-8-9-21-23-18(15)29(27,28)24-19(26)22-16-13-6-2-4-11(13)10-12-5-3-7-14(12)16/h8-10H,2-7H2,1H3,(H,20,25)(H2,22,24,26)
InChIKeyJIEWPKVWEKCMDN-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.32
Rot. Bonds4

About 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide

3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide (PubChem CID 137404021) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide
PubChem CID137404021
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide
SMILESCNC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H21N5O4S/c1-20-17(25)15-8-9-21-23-18(15)29(27,28)24-19(26)22-16-13-6-2-4-11(13)10-12-5-3-7-14(12)16/h8-10H,2-7H2,1H3,(H,20,25)(H2,22,24,26)
InChIKeyJIEWPKVWEKCMDN-UHFFFAOYSA-N
XLogP1.32
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide?
The IUPAC name of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide (CID 137404021) is 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide is CNC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide?
The InChIKey is JIEWPKVWEKCMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-20-17(25)15-8-9-21-23-18(15)29(27,28)24-19(26)22-16-13-6-2-4-11(13)10-12-5-3-7-14(12)16/h8-10H,2-7H2,1H3,(H,20,25)(H2,22,24,26).
What are the key properties of 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide?
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 137404021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).