6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide

C23H24N4O2 — CID 52945855

IUPAC6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide
SMILESO=C(NO)c1ccc(N2C[C@H]3CN(Cc4ccc5ccccc5c4)C[C@H]3C2)nc1
InChIInChI=1S/C23H24N4O2/c28-23(25-29)19-7-8-22(24-10-19)27-14-20-12-26(13-21(20)15-27)11-16-5-6-17-3-1-2-4-18(17)9-16/h1-10,20-21,29H,11-15H2,(H,25,28)/t20-,21+
InChIKeyDANQOBBFZRKLFG-OYRHEFFESA-N
MW388.47 g/mol
LogP2.92
Rot. Bonds4

About 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide

6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide (PubChem CID 52945855) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide
PubChem CID52945855
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide
SMILESO=C(NO)c1ccc(N2C[C@H]3CN(Cc4ccc5ccccc5c4)C[C@H]3C2)nc1
InChIInChI=1S/C23H24N4O2/c28-23(25-29)19-7-8-22(24-10-19)27-14-20-12-26(13-21(20)15-27)11-16-5-6-17-3-1-2-4-18(17)9-16/h1-10,20-21,29H,11-15H2,(H,25,28)/t20-,21+
InChIKeyDANQOBBFZRKLFG-OYRHEFFESA-N
XLogP2.92
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide (CID 52945855) is 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide is O=C(NO)c1ccc(N2C[C@H]3CN(Cc4ccc5ccccc5c4)C[C@H]3C2)nc1.
What is the InChIKey of 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide?
The InChIKey is DANQOBBFZRKLFG-OYRHEFFESA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(25-29)19-7-8-22(24-10-19)27-14-20-12-26(13-21(20)15-27)11-16-5-6-17-3-1-2-4-18(17)9-16/h1-10,20-21,29H,11-15H2,(H,25,28)/t20-,21+.
What are the key properties of 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide?
6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR,6aS)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 52945855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).