N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide

C18H19N3O — CID 750254

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide
SMILESO=C(Nc1c2c(nc3c1CCC3)CCCC2)c1ccccn1
InChIInChI=1S/C18H19N3O/c22-18(16-9-3-4-11-19-16)21-17-12-6-1-2-8-14(12)20-15-10-5-7-13(15)17/h3-4,9,11H,1-2,5-8,10H2,(H,20,21,22)
InChIKeyOBFPPPCLRHGUHT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.10
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide (PubChem CID 750254) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide
PubChem CID750254
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide
SMILESO=C(Nc1c2c(nc3c1CCC3)CCCC2)c1ccccn1
InChIInChI=1S/C18H19N3O/c22-18(16-9-3-4-11-19-16)21-17-12-6-1-2-8-14(12)20-15-10-5-7-13(15)17/h3-4,9,11H,1-2,5-8,10H2,(H,20,21,22)
InChIKeyOBFPPPCLRHGUHT-UHFFFAOYSA-N
XLogP3.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide (CID 750254) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide is O=C(Nc1c2c(nc3c1CCC3)CCCC2)c1ccccn1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide?
The InChIKey is OBFPPPCLRHGUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(16-9-3-4-11-19-16)21-17-12-6-1-2-8-14(12)20-15-10-5-7-13(15)17/h3-4,9,11H,1-2,5-8,10H2,(H,20,21,22).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)pyridine-2-carboxamide is sourced from PubChem (CID 750254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).