1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile

C24H26N6O — CID 155458659

IUPAC1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cnc(Nc3ccc(N4CCNCC4)cc3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H26N6O/c25-15-17-13-18-16-27-23(14-22(18)30(24(17)31)21-3-1-2-4-21)28-19-5-7-20(8-6-19)29-11-9-26-10-12-29/h5-8,13-14,16,21,26H,1-4,9-12H2,(H,27,28)
InChIKeyBZSYKRGIBJZDER-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.54
Rot. Bonds4

About 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile

1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile (PubChem CID 155458659) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile
PubChem CID155458659
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cnc(Nc3ccc(N4CCNCC4)cc3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H26N6O/c25-15-17-13-18-16-27-23(14-22(18)30(24(17)31)21-3-1-2-4-21)28-19-5-7-20(8-6-19)29-11-9-26-10-12-29/h5-8,13-14,16,21,26H,1-4,9-12H2,(H,27,28)
InChIKeyBZSYKRGIBJZDER-UHFFFAOYSA-N
XLogP3.54
TPSA85.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile (CID 155458659) is 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile is N#Cc1cc2cnc(Nc3ccc(N4CCNCC4)cc3)cc2n(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile?
The InChIKey is BZSYKRGIBJZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c25-15-17-13-18-16-27-23(14-22(18)30(24(17)31)21-3-1-2-4-21)28-19-5-7-20(8-6-19)29-11-9-26-10-12-29/h5-8,13-14,16,21,26H,1-4,9-12H2,(H,27,28).
What are the key properties of 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile?
1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile has a molecular weight of 414.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155458659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).