N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C16H16N4O5S — CID 30870970

IUPACN-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O5S/c1-2-11-3-5-13(9-14(11)20(22)23)17-16(21)12-4-6-15-18-26(24,25)8-7-19(15)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,17,21)
InChIKeyOCPPDENDYMPFHF-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.59
Rot. Bonds4

About N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 30870970) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID30870970
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC NameN-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O5S/c1-2-11-3-5-13(9-14(11)20(22)23)17-16(21)12-4-6-15-18-26(24,25)8-7-19(15)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,17,21)
InChIKeyOCPPDENDYMPFHF-UHFFFAOYSA-N
XLogP1.59
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 30870970) is N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CCc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is OCPPDENDYMPFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-2-11-3-5-13(9-14(11)20(22)23)17-16(21)12-4-6-15-18-26(24,25)8-7-19(15)10-12/h3-6,9-10H,2,7-8H2,1H3,(H,17,21).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 30870970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).