5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide

C20H24N4O — CID 44512895

IUPAC5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C20H24N4O/c1-23(12-15-5-3-2-4-6-15)20(25)16-7-19(11-22-8-16)24-13-17-9-21-10-18(17)14-24/h2-8,11,17-18,21H,9-10,12-14H2,1H3/t17-,18+
InChIKeyOALUAJKYONQDDJ-HDICACEKSA-N
MW336.44 g/mol
LogP2.01
Rot. Bonds4

About 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide

5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide (PubChem CID 44512895) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide
PubChem CID44512895
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C20H24N4O/c1-23(12-15-5-3-2-4-6-15)20(25)16-7-19(11-22-8-16)24-13-17-9-21-10-18(17)14-24/h2-8,11,17-18,21H,9-10,12-14H2,1H3/t17-,18+
InChIKeyOALUAJKYONQDDJ-HDICACEKSA-N
XLogP2.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

Niaprazine
CID 71919
Phenatine
CID 120640
2-(pyridin-4-yl)-1H,4H,5H,6H-pyrrolo[2,3-c]pyrrol-4-one
CID 24771196
(1R,4R)-2-(5-aminocarbonyl-3-pyridinyl)-2,5-diazabicyclo-[2.2.1]heptane
CID 9837340
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 44512560
[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 44512892
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-iodophenyl)pyridine-3-carboxamide
CID 44513219
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 44516625
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 44516627
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 44516943
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 44516947
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 44517274

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide (CID 44512895) is 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1.
What is the InChIKey of 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide?
The InChIKey is OALUAJKYONQDDJ-HDICACEKSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23(12-15-5-3-2-4-6-15)20(25)16-7-19(11-22-8-16)24-13-17-9-21-10-18(17)14-24/h2-8,11,17-18,21H,9-10,12-14H2,1H3/t17-,18+.
What are the key properties of 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide?
5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 44512895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).