8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione

C21H18N4O2 — CID 43865142

IUPAC8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESO=c1c2cc3c(=O)n(C4CCCC4)ccc3nc2ccn1-c1ccncc1
InChIInChI=1S/C21H18N4O2/c26-20-16-13-17-19(8-12-25(21(17)27)15-5-9-22-10-6-15)23-18(16)7-11-24(20)14-3-1-2-4-14/h5-14H,1-4H2
InChIKeyWJNHHBBFKATMRE-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.21
Rot. Bonds2

About 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione

8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 43865142) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID43865142
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESO=c1c2cc3c(=O)n(C4CCCC4)ccc3nc2ccn1-c1ccncc1
InChIInChI=1S/C21H18N4O2/c26-20-16-13-17-19(8-12-25(21(17)27)15-5-9-22-10-6-15)23-18(16)7-11-24(20)14-3-1-2-4-14/h5-14H,1-4H2
InChIKeyWJNHHBBFKATMRE-UHFFFAOYSA-N
XLogP3.21
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 43865142) is 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione is O=c1c2cc3c(=O)n(C4CCCC4)ccc3nc2ccn1-c1ccncc1.
What is the InChIKey of 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is WJNHHBBFKATMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20-16-13-17-19(8-12-25(21(17)27)15-5-9-22-10-6-15)23-18(16)7-11-24(20)14-3-1-2-4-14/h5-14H,1-4H2.
What are the key properties of 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 358.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 43865142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).