[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C22H20F2N4O — CID 109193428

IUPAC[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Nc2c(F)cccc2F)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H20F2N4O/c23-18-7-4-8-19(24)21(18)26-16-9-10-20(25-15-16)22(29)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h1-10,15,26H,11-14H2
InChIKeyXXWWYZHHGYETOC-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.07
Rot. Bonds4

About [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109193428) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109193428
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Nc2c(F)cccc2F)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H20F2N4O/c23-18-7-4-8-19(24)21(18)26-16-9-10-20(25-15-16)22(29)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h1-10,15,26H,11-14H2
InChIKeyXXWWYZHHGYETOC-UHFFFAOYSA-N
XLogP4.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone 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

[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200601
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285538
[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109194252
[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188270
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109193428) is [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(Nc2c(F)cccc2F)cn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XXWWYZHHGYETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-18-7-4-8-19(24)21(18)26-16-9-10-20(25-15-16)22(29)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h1-10,15,26H,11-14H2.
What are the key properties of [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 394.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109193428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).