1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide

C21H17ClN4O3S — CID 53151672

IUPAC1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O
InChIInChI=1S/C21H17ClN4O3S/c22-16-8-10-17(11-9-16)26-19-18(7-4-13-23-19)30(28,29)21(25-26)20(27)24-14-12-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,24,27)
InChIKeyMMPLAPHTIXWMRU-UHFFFAOYSA-N
MW440.91 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide

1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide (PubChem CID 53151672) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide
PubChem CID53151672
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC Name1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O
InChIInChI=1S/C21H17ClN4O3S/c22-16-8-10-17(11-9-16)26-19-18(7-4-13-23-19)30(28,29)21(25-26)20(27)24-14-12-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,24,27)
InChIKeyMMPLAPHTIXWMRU-UHFFFAOYSA-N
XLogP3.33
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
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6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
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CID 23632578
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
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CID 18372521
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide (CID 53151672) is 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide is O=C(NCCc1ccccc1)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O.
What is the InChIKey of 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide?
The InChIKey is MMPLAPHTIXWMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c22-16-8-10-17(11-9-16)26-19-18(7-4-13-23-19)30(28,29)21(25-26)20(27)24-14-12-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,24,27).
What are the key properties of 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide?
1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4,4-dioxo-N-(2-phenylethyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide is sourced from PubChem (CID 53151672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).