N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide

C15H20N4O2 — CID 169429069

IUPACN-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide
SMILESCN1CC(C(=O)NCc2ccccc2)C2CNNC2C1=O
InChIInChI=1S/C15H20N4O2/c1-19-9-12(11-8-17-18-13(11)15(19)21)14(20)16-7-10-5-3-2-4-6-10/h2-6,11-13,17-18H,7-9H2,1H3,(H,16,20)
InChIKeyOALRJRSRYDMIRL-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.52
Rot. Bonds3

About N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide

N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide (PubChem CID 169429069) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide
PubChem CID169429069
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide
SMILESCN1CC(C(=O)NCc2ccccc2)C2CNNC2C1=O
InChIInChI=1S/C15H20N4O2/c1-19-9-12(11-8-17-18-13(11)15(19)21)14(20)16-7-10-5-3-2-4-6-10/h2-6,11-13,17-18H,7-9H2,1H3,(H,16,20)
InChIKeyOALRJRSRYDMIRL-UHFFFAOYSA-N
XLogP-0.52
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide (CID 169429069) is N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide is CN1CC(C(=O)NCc2ccccc2)C2CNNC2C1=O.
What is the InChIKey of N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide?
The InChIKey is OALRJRSRYDMIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-9-12(11-8-17-18-13(11)15(19)21)14(20)16-7-10-5-3-2-4-6-10/h2-6,11-13,17-18H,7-9H2,1H3,(H,16,20).
What are the key properties of N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide?
N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 169429069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).