2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile

C23H21N5O — CID 109215207

IUPAC2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H21N5O/c24-17-18-6-4-5-9-21(18)26-19-10-11-25-22(16-19)23(29)28-14-12-27(13-15-28)20-7-2-1-3-8-20/h1-11,16H,12-15H2,(H,25,26)
InChIKeyCZUNZBCALLRPCR-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.66
Rot. Bonds4

About 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile

2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile (PubChem CID 109215207) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
PubChem CID109215207
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H21N5O/c24-17-18-6-4-5-9-21(18)26-19-10-11-25-22(16-19)23(29)28-14-12-27(13-15-28)20-7-2-1-3-8-20/h1-11,16H,12-15H2,(H,25,26)
InChIKeyCZUNZBCALLRPCR-UHFFFAOYSA-N
XLogP3.66
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109208545
3-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215208
4-[[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-4-pyridinyl]amino]benzonitrile
CID 109216036
2-[[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219683
(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109216106
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
2-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109353174
4-[[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216328
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile (CID 109215207) is 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile is N#Cc1ccccc1Nc1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The InChIKey is CZUNZBCALLRPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-17-18-6-4-5-9-21(18)26-19-10-11-25-22(16-19)23(29)28-14-12-27(13-15-28)20-7-2-1-3-8-20/h1-11,16H,12-15H2,(H,25,26).
What are the key properties of 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile has a molecular weight of 383.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109215207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).