6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide

C21H19N5O6S — CID 154072344

IUPAC6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NOCc1ccccc1)C1Cc2nccnc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N5O6S/c27-21(24-32-14-15-4-2-1-3-5-15)20-12-18-19(23-11-10-22-18)13-25(20)33(30,31)17-8-6-16(7-9-17)26(28)29/h1-11,20H,12-14H2,(H,24,27)
InChIKeyKDORKMHBVBGILZ-UHFFFAOYSA-N
MW469.48 g/mol
LogP1.75
Rot. Bonds7

About 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide

6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide (PubChem CID 154072344) has the molecular formula C21H19N5O6S and a molecular weight of 469.48 g/mol. Its IUPAC name is 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
PubChem CID154072344
Molecular FormulaC21H19N5O6S
Molecular Weight469.48 g/mol
Exact Mass469.11
IUPAC Name6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NOCc1ccccc1)C1Cc2nccnc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N5O6S/c27-21(24-32-14-15-4-2-1-3-5-15)20-12-18-19(23-11-10-22-18)13-25(20)33(30,31)17-8-6-16(7-9-17)26(28)29/h1-11,20H,12-14H2,(H,24,27)
InChIKeyKDORKMHBVBGILZ-UHFFFAOYSA-N
XLogP1.75
TPSA144.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-phenylmethoxy-6-(4-pyridin-4-yloxyphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
CID 154072364
6-[4-(2-hydroxyethoxy)phenyl]sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
CID 86590459
(7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
CID 11004130
(7R)-6-[4-(4-phenoxyphenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid
CID 11733853
(2R)-N-benzyl-1-(4-nitrophenyl)sulfonylaziridine-2-carboxamide
CID 102025765
ethyl 4-[4-[[7-(hydroxycarbamoyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]sulfonyl]phenoxy]butanoate
CID 85306354
benzyl 2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-4-(4-nitrophenoxy)butanoate
CID 23566991
2-(4-nitrophenoxy)-N-phenylmethoxyacetamide
CID 41248168
(4E)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-methoxyimino-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 10165708
2-[[(3S)-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid
CID 20793991
(2R,3R,4R,5R)-3,4,5-trihydroxy-1-(4-phenoxyphenyl)sulfonyl-N-phenylmethoxypiperidine-2-carboxamide
CID 58866153
1-(4-nitrophenyl)sulfonyl-2-(phenoxymethyl)aziridine
CID 54576608

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The IUPAC name of 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide (CID 154072344) is 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide is O=C(NOCc1ccccc1)C1Cc2nccnc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The InChIKey is KDORKMHBVBGILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O6S/c27-21(24-32-14-15-4-2-1-3-5-15)20-12-18-19(23-11-10-22-18)13-25(20)33(30,31)17-8-6-16(7-9-17)26(28)29/h1-11,20H,12-14H2,(H,24,27).
What are the key properties of 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide has a molecular weight of 469.48 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)sulfonyl-N-phenylmethoxy-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide is sourced from PubChem (CID 154072344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).