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

C20H18N4O4S — CID 11004130

IUPAC(7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NO)[C@H]1Cc2nccnc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O4S/c25-20(23-26)19-12-17-18(22-11-10-21-17)13-24(19)29(27,28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-11,19,26H,12-13H2,(H,23,25)/t19-/m1/s1
InChIKeyGMFPKJABHKHCAR-LJQANCHMSA-N
MW410.46 g/mol
LogP1.76
Rot. Bonds4

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

(7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide (PubChem CID 11004130) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is (7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
PubChem CID11004130
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name(7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NO)[C@H]1Cc2nccnc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O4S/c25-20(23-26)19-12-17-18(22-11-10-21-17)13-24(19)29(27,28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-11,19,26H,12-13H2,(H,23,25)/t19-/m1/s1
InChIKeyGMFPKJABHKHCAR-LJQANCHMSA-N
XLogP1.76
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The IUPAC name of (7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide (CID 11004130) is (7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide.
What is the SMILES notation for (7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The canonical SMILES for (7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide is O=C(NO)[C@H]1Cc2nccnc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
The InChIKey is GMFPKJABHKHCAR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N4O4S/c25-20(23-26)19-12-17-18(22-11-10-21-17)13-24(19)29(27,28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-11,19,26H,12-13H2,(H,23,25)/t19-/m1/s1.
What are the key properties of (7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide?
(7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-hydroxy-6-(4-phenylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxamide is sourced from PubChem (CID 11004130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).