5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide

C20H22N4O2 — CID 58425027

IUPAC5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2[nH]c(=O)c3cccnc3c2c1
InChIInChI=1S/C20H22N4O2/c25-19(22-9-12-24-10-2-1-3-11-24)14-6-7-17-16(13-14)18-15(20(26)23-17)5-4-8-21-18/h4-8,13H,1-3,9-12H2,(H,22,25)(H,23,26)
InChIKeyIHPMJAXYCKDTBU-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.29
Rot. Bonds4

About 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide

5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide (PubChem CID 58425027) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide
PubChem CID58425027
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2[nH]c(=O)c3cccnc3c2c1
InChIInChI=1S/C20H22N4O2/c25-19(22-9-12-24-10-2-1-3-11-24)14-6-7-17-16(13-14)18-15(20(26)23-17)5-4-8-21-18/h4-8,13H,1-3,9-12H2,(H,22,25)(H,23,26)
InChIKeyIHPMJAXYCKDTBU-UHFFFAOYSA-N
XLogP2.29
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide?
The IUPAC name of 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide (CID 58425027) is 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide?
The canonical SMILES for 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide is O=C(NCCN1CCCCC1)c1ccc2[nH]c(=O)c3cccnc3c2c1.
What is the InChIKey of 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide?
The InChIKey is IHPMJAXYCKDTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(22-9-12-24-10-2-1-3-11-24)14-6-7-17-16(13-14)18-15(20(26)23-17)5-4-8-21-18/h4-8,13H,1-3,9-12H2,(H,22,25)(H,23,26).
What are the key properties of 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide?
5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide is sourced from PubChem (CID 58425027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).