2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C25H20N4O — CID 11741241

IUPAC2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2c3ccccc3cc3ccccc23)CC1
InChIInChI=1S/C25H20N4O/c26-17-20-8-5-11-27-24(20)28-12-14-29(15-13-28)25(30)23-21-9-3-1-6-18(21)16-19-7-2-4-10-22(19)23/h1-11,16H,12-15H2
InChIKeyDGPGQFAESIHIOG-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.22
Rot. Bonds2

About 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 11741241) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID11741241
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2c3ccccc3cc3ccccc23)CC1
InChIInChI=1S/C25H20N4O/c26-17-20-8-5-11-27-24(20)28-12-14-29(15-13-28)25(30)23-21-9-3-1-6-18(21)16-19-7-2-4-10-22(19)23/h1-11,16H,12-15H2
InChIKeyDGPGQFAESIHIOG-UHFFFAOYSA-N
XLogP4.22
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70707308
2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70730012
2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 99164423
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-(3-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 58989779
2-[4-(1-methyl-5-phenylpyrrole-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 77085610
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78889228
2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55456082
2-[4-(2,3-dimethyl-1H-indole-7-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78852290

Frequently Asked Questions

What is the IUPAC name of 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 11741241) is 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C(=O)c2c3ccccc3cc3ccccc23)CC1.
What is the InChIKey of 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DGPGQFAESIHIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c26-17-20-8-5-11-27-24(20)28-12-14-29(15-13-28)25(30)23-21-9-3-1-6-18(21)16-19-7-2-4-10-22(19)23/h1-11,16H,12-15H2.
What are the key properties of 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 11741241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).