2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C16H17N3O2 — CID 56707254

IUPAC2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCCOc1ncccc1-c1nc2c(cc1C(N)=O)CCC2
InChIInChI=1S/C16H17N3O2/c1-2-21-16-11(6-4-8-18-16)14-12(15(17)20)9-10-5-3-7-13(10)19-14/h4,6,8-9H,2-3,5,7H2,1H3,(H2,17,20)
InChIKeyODJAFDLYKXHOMD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.13
Rot. Bonds4

About 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 56707254) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID56707254
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCCOc1ncccc1-c1nc2c(cc1C(N)=O)CCC2
InChIInChI=1S/C16H17N3O2/c1-2-21-16-11(6-4-8-18-16)14-12(15(17)20)9-10-5-3-7-13(10)19-14/h4,6,8-9H,2-3,5,7H2,1H3,(H2,17,20)
InChIKeyODJAFDLYKXHOMD-UHFFFAOYSA-N
XLogP2.13
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 56707254) is 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CCOc1ncccc1-c1nc2c(cc1C(N)=O)CCC2.
What is the InChIKey of 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is ODJAFDLYKXHOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-21-16-11(6-4-8-18-16)14-12(15(17)20)9-10-5-3-7-13(10)19-14/h4,6,8-9H,2-3,5,7H2,1H3,(H2,17,20).
What are the key properties of 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 56707254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).