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

C22H23N5O2 — CID 50898619

IUPAC2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2C[C@H]3CN(Cc4ccc5ccccc5c4)C[C@H]3C2)nc1
InChIInChI=1S/C22H23N5O2/c28-21(25-29)18-8-23-22(24-9-18)27-13-19-11-26(12-20(19)14-27)10-15-5-6-16-3-1-2-4-17(16)7-15/h1-9,19-20,29H,10-14H2,(H,25,28)/t19-,20+
InChIKeyKPGKJQJLWZJYMJ-BGYRXZFFSA-N
MW389.46 g/mol
LogP2.32
Rot. Bonds4

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

2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 50898619) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID50898619
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2C[C@H]3CN(Cc4ccc5ccccc5c4)C[C@H]3C2)nc1
InChIInChI=1S/C22H23N5O2/c28-21(25-29)18-8-23-22(24-9-18)27-13-19-11-26(12-20(19)14-27)10-15-5-6-16-3-1-2-4-17(16)7-15/h1-9,19-20,29H,10-14H2,(H,25,28)/t19-,20+
InChIKeyKPGKJQJLWZJYMJ-BGYRXZFFSA-N
XLogP2.32
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.32
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide (CID 50898619) is 2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(N2C[C@H]3CN(Cc4ccc5ccccc5c4)C[C@H]3C2)nc1.
What is the InChIKey of 2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is KPGKJQJLWZJYMJ-BGYRXZFFSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(25-29)18-8-23-22(24-9-18)27-13-19-11-26(12-20(19)14-27)10-15-5-6-16-3-1-2-4-17(16)7-15/h1-9,19-20,29H,10-14H2,(H,25,28)/t19-,20+.
What are the key properties of 2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 50898619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).