6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

About 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20921179) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound Name	6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID	20921179
Molecular Formula	C24H29N5O3S
Molecular Weight	467.60 g/mol
Exact Mass	467.20
IUPAC Name	6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILES	Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCCN2CCCC2=O)cc1
InChI	InChI=1S/C24H29N5O3S/c1-16-15-17(2)26-23-21(16)29(13-14-33-23)24(32)27-19-8-6-18(7-9-19)22(31)25-10-4-12-28-11-3-5-20(28)30/h6-9,15H,3-5,10-14H2,1-2H3,(H,25,31)(H,27,32)
InChIKey	VZIKRRWBRSICRA-UHFFFAOYSA-N
XLogP	3.58
TPSA	94.64 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.60
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

The IUPAC name of 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20921179) is 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

What is the SMILES notation for 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

The canonical SMILES for 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCCN2CCCC2=O)cc1.

What is the InChIKey of 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

The InChIKey is VZIKRRWBRSICRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-16-15-17(2)26-23-21(16)29(13-14-33-23)24(32)27-19-8-6-18(7-9-19)22(31)25-10-4-12-28-11-3-5-20(28)30/h6-9,15H,3-5,10-14H2,1-2H3,(H,25,31)(H,27,32).

What are the key properties of 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dimethyl-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20921179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).