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

C18H19Cl2N5O2 — CID 52943493

IUPAC2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-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(Cc4cc(Cl)cc(Cl)c4)C[C@H]3C2)nc1
InChIInChI=1S/C18H19Cl2N5O2/c19-15-1-11(2-16(20)3-15)6-24-7-13-9-25(10-14(13)8-24)18-21-4-12(5-22-18)17(26)23-27/h1-5,13-14,27H,6-10H2,(H,23,26)/t13-,14+
InChIKeyRGATYWGNQXBRFV-OKILXGFUSA-N
MW408.29 g/mol
LogP2.47
Rot. Bonds4

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

2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 52943493) has the molecular formula C18H19Cl2N5O2 and a molecular weight of 408.29 g/mol. Its IUPAC name is 2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID52943493
Molecular FormulaC18H19Cl2N5O2
Molecular Weight408.29 g/mol
Exact Mass407.09
IUPAC Name2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-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(Cc4cc(Cl)cc(Cl)c4)C[C@H]3C2)nc1
InChIInChI=1S/C18H19Cl2N5O2/c19-15-1-11(2-16(20)3-15)6-24-7-13-9-25(10-14(13)8-24)18-21-4-12(5-22-18)17(26)23-27/h1-5,13-14,27H,6-10H2,(H,23,26)/t13-,14+
InChIKeyRGATYWGNQXBRFV-OKILXGFUSA-N
XLogP2.47
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 52.47
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-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-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

Related Compounds

2-[(3-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 56968097
2-[(1R,5S)-6-[(4-chlorophenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
CID 49856931
2-[(3aR,6aS)-2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide
CID 52941022
2-[(3-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 71552866
2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380747
2-[(4-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380750
2-[2-(3-chlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380973
2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57381195
2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57381197
2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57381198
2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57381421
2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 57382066

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide (CID 52943493) is 2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-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(Cc4cc(Cl)cc(Cl)c4)C[C@H]3C2)nc1.
What is the InChIKey of 2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is RGATYWGNQXBRFV-OKILXGFUSA-N. The full InChI is InChI=1S/C18H19Cl2N5O2/c19-15-1-11(2-16(20)3-15)6-24-7-13-9-25(10-14(13)8-24)18-21-4-12(5-22-18)17(26)23-27/h1-5,13-14,27H,6-10H2,(H,23,26)/t13-,14+.
What are the key properties of 2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 408.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aS)-2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 52943493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).