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

C18H19ClN4O — CID 44512560

IUPAC5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C18H19ClN4O/c19-15-1-3-16(4-2-15)22-18(24)12-5-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+
InChIKeyPRTCMGZKZBJAKA-OKILXGFUSA-N
MW342.83 g/mol
LogP2.64
Rot. Bonds3

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

5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide (PubChem CID 44512560) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide
PubChem CID44512560
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C18H19ClN4O/c19-15-1-3-16(4-2-15)22-18(24)12-5-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+
InChIKeyPRTCMGZKZBJAKA-OKILXGFUSA-N
XLogP2.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[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
N-(3-chlorophenyl)-5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxamide
CID 155515572
N-(4-chlorophenyl)-5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxamide
CID 155518882
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
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 44516942
5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide
CID 44516944

Frequently Asked Questions

What is the IUPAC name of 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 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) is 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1.
What is the InChIKey of 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is PRTCMGZKZBJAKA-OKILXGFUSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-15-1-3-16(4-2-15)22-18(24)12-5-17(9-21-6-12)23-10-13-7-20-8-14(13)11-23/h1-6,9,13-14,20H,7-8,10-11H2,(H,22,24)/t13-,14+.
What are the key properties of 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide?
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(4-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 44512560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).