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

C24H33N5O2S — CID 20921165

IUPACN-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1
InChIInChI=1S/C24H33N5O2S/c1-5-28(6-2)13-7-12-25-22(30)19-8-10-20(11-9-19)27-24(31)29-14-15-32-23-21(29)17(3)16-18(4)26-23/h8-11,16H,5-7,12-15H2,1-4H3,(H,25,30)(H,27,31)
InChIKeyDOLOAQAEEUXCGG-UHFFFAOYSA-N
MW455.63 g/mol
LogP4.30
Rot. Bonds8

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

N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20921165) has the molecular formula C24H33N5O2S and a molecular weight of 455.63 g/mol. Its IUPAC name is N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID20921165
Molecular FormulaC24H33N5O2S
Molecular Weight455.63 g/mol
Exact Mass455.24
IUPAC NameN-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1
InChIInChI=1S/C24H33N5O2S/c1-5-28(6-2)13-7-12-25-22(30)19-8-10-20(11-9-19)27-24(31)29-14-15-32-23-21(29)17(3)16-18(4)26-23/h8-11,16H,5-7,12-15H2,1-4H3,(H,25,30)(H,27,31)
InChIKeyDOLOAQAEEUXCGG-UHFFFAOYSA-N
XLogP4.30
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,8-dimethyl-N-[4-[3-(N-methylanilino)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279651
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
6,8-dimethyl-N-[3-(propylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050076
6,8-dimethyl-N-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050110
N-[4-[(3-fluorophenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279635
N-[3-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050113
6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050117
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050060
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53032649
6,8-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53003742

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20921165) is N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is CCN(CC)CCCNC(=O)c1ccc(NC(=O)N2CCSc3nc(C)cc(C)c32)cc1.
What is the InChIKey of N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is DOLOAQAEEUXCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2S/c1-5-28(6-2)13-7-12-25-22(30)19-8-10-20(11-9-19)27-24(31)29-14-15-32-23-21(29)17(3)16-18(4)26-23/h8-11,16H,5-7,12-15H2,1-4H3,(H,25,30)(H,27,31).
What are the key properties of N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 455.63 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20921165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).