2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile

C25H21N5O2 — CID 25332203

IUPAC2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1
InChIInChI=1S/C25H21N5O2/c26-16-18-9-10-27-23(15-18)28-11-13-29(14-12-28)24(31)17-30-21-7-3-1-5-19(21)25(32)20-6-2-4-8-22(20)30/h1-10,15H,11-14,17H2
InChIKeyHSMJQANADZLQJO-UHFFFAOYSA-N
MW423.48 g/mol
LogP2.77
Rot. Bonds3

About 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 25332203) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID25332203
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1
InChIInChI=1S/C25H21N5O2/c26-16-18-9-10-27-23(15-18)28-11-13-29(14-12-28)24(31)17-30-21-7-3-1-5-19(21)25(32)20-6-2-4-8-22(20)30/h1-10,15H,11-14,17H2
InChIKeyHSMJQANADZLQJO-UHFFFAOYSA-N
XLogP2.77
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 52.77
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 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 25332203) is 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)c1.
What is the InChIKey of 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is HSMJQANADZLQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c26-16-18-9-10-27-23(15-18)28-11-13-29(14-12-28)24(31)17-30-21-7-3-1-5-19(21)25(32)20-6-2-4-8-22(20)30/h1-10,15H,11-14,17H2.
What are the key properties of 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 423.48 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 25332203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).