N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide

C17H18N2O — CID 162195780

IUPACN-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)cc2c1CCC2
InChIInChI=1S/C17H18N2O/c1-12-15-9-5-8-14(15)10-16(19-12)17(20)18-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,18,20)
InChIKeyUJMAFBYCTDBBGA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.81
Rot. Bonds3

About N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide

N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide (PubChem CID 162195780) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
PubChem CID162195780
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)cc2c1CCC2
InChIInChI=1S/C17H18N2O/c1-12-15-9-5-8-14(15)10-16(19-12)17(20)18-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,18,20)
InChIKeyUJMAFBYCTDBBGA-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide (CID 162195780) is N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide is Cc1nc(C(=O)NCc2ccccc2)cc2c1CCC2.
What is the InChIKey of N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
The InChIKey is UJMAFBYCTDBBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-15-9-5-8-14(15)10-16(19-12)17(20)18-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,18,20).
What are the key properties of N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide is sourced from PubChem (CID 162195780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).