N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C20H24N2O2 — CID 71660060

IUPACN-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCC2
InChIInChI=1S/C20H24N2O2/c1-2-3-12-22-18-11-7-10-16(18)13-17(20(22)24)19(23)21-14-15-8-5-4-6-9-15/h4-6,8-9,13H,2-3,7,10-12,14H2,1H3,(H,21,23)
InChIKeyRETSFECQNLSYQB-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.07
Rot. Bonds6

About N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 71660060) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID71660060
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCC2
InChIInChI=1S/C20H24N2O2/c1-2-3-12-22-18-11-7-10-16(18)13-17(20(22)24)19(23)21-14-15-8-5-4-6-9-15/h4-6,8-9,13H,2-3,7,10-12,14H2,1H3,(H,21,23)
InChIKeyRETSFECQNLSYQB-UHFFFAOYSA-N
XLogP3.07
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 71660060) is N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCC2.
What is the InChIKey of N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is RETSFECQNLSYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-3-12-22-18-11-7-10-16(18)13-17(20(22)24)19(23)21-14-15-8-5-4-6-9-15/h4-6,8-9,13H,2-3,7,10-12,14H2,1H3,(H,21,23).
What are the key properties of N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71660060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).