N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

C20H24N4O — CID 156607956

IUPACN-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESO=C(Nc1ccc(CCc2ccccn2)cc1)N1CC2CNCC2C1
InChIInChI=1S/C20H24N4O/c25-20(24-13-16-11-21-12-17(16)14-24)23-19-8-5-15(6-9-19)4-7-18-3-1-2-10-22-18/h1-3,5-6,8-10,16-17,21H,4,7,11-14H2,(H,23,25)
InChIKeyOLULWIFQXXITHH-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.55
Rot. Bonds4

About N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 156607956) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID156607956
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESO=C(Nc1ccc(CCc2ccccn2)cc1)N1CC2CNCC2C1
InChIInChI=1S/C20H24N4O/c25-20(24-13-16-11-21-12-17(16)14-24)23-19-8-5-15(6-9-19)4-7-18-3-1-2-10-22-18/h1-3,5-6,8-10,16-17,21H,4,7,11-14H2,(H,23,25)
InChIKeyOLULWIFQXXITHH-UHFFFAOYSA-N
XLogP2.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-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

(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 126439599
2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 118772558
(5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 126432480
2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
CID 46786313
(3aS,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 96640188
5-(2-pyridin-2-ylethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213179
3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
CID 72938452
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide
CID 128771647
3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142
N-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 169493392
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (CID 156607956) is N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is O=C(Nc1ccc(CCc2ccccn2)cc1)N1CC2CNCC2C1.
What is the InChIKey of N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is OLULWIFQXXITHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(24-13-16-11-21-12-17(16)14-24)23-19-8-5-15(6-9-19)4-7-18-3-1-2-10-22-18/h1-3,5-6,8-10,16-17,21H,4,7,11-14H2,(H,23,25).
What are the key properties of N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 156607956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).