N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C18H18N4O4S — CID 55496155

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C18H18N4O4S/c23-17(12-3-4-12)19-13-5-7-14(8-6-13)20-18(24)15-2-1-9-22-10-11-27(25,26)21-16(15)22/h1-2,5-9,12H,3-4,10-11H2,(H,19,23)(H,20,24)
InChIKeyHVSBVTVZWOGDKZ-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.47
Rot. Bonds4

About N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55496155) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID55496155
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C18H18N4O4S/c23-17(12-3-4-12)19-13-5-7-14(8-6-13)20-18(24)15-2-1-9-22-10-11-27(25,26)21-16(15)22/h1-2,5-9,12H,3-4,10-11H2,(H,19,23)(H,20,24)
InChIKeyHVSBVTVZWOGDKZ-UHFFFAOYSA-N
XLogP1.47
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9115367
N-(4-ethoxyphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777025
2,2-dioxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55611894
2,2-dioxo-N-(2,4,6-trimethylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777075
2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78807949
N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide
CID 55669970
N-(2-methylpiperidin-4-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 120600127
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55383083
N-[2-(2-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78809016
N-[1-(4-bromophenyl)cyclopropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55825521
N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 119640306
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8801213

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55496155) is N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is HVSBVTVZWOGDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-17(12-3-4-12)19-13-5-7-14(8-6-13)20-18(24)15-2-1-9-22-10-11-27(25,26)21-16(15)22/h1-2,5-9,12H,3-4,10-11H2,(H,19,23)(H,20,24).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55496155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).