[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone

C23H23FN4O — CID 109174472

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone
SMILESCc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccn1
InChIInChI=1S/C23H23FN4O/c1-17-6-2-4-8-20(17)26-22-16-18(10-11-25-22)23(29)28-14-12-27(13-15-28)21-9-5-3-7-19(21)24/h2-11,16H,12-15H2,1H3,(H,25,26)
InChIKeyUKHLZDYXWGGPNR-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.24
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone (PubChem CID 109174472) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone
PubChem CID109174472
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone
SMILESCc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccn1
InChIInChI=1S/C23H23FN4O/c1-17-6-2-4-8-20(17)26-22-16-18(10-11-25-22)23(29)28-14-12-27(13-15-28)21-9-5-3-7-19(21)24/h2-11,16H,12-15H2,1H3,(H,25,26)
InChIKeyUKHLZDYXWGGPNR-UHFFFAOYSA-N
XLogP4.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174558
[2-(tert-butylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109174462
[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109166108
4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168896
[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
ethyl 4-[2-(2,3-dimethylanilino)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109174269
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109082360
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(4-methylpiperazin-1-yl)-[2-(2,3,4-trifluoroanilino)-4-pyridinyl]methanone
CID 109168549
[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109165914
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone (CID 109174472) is [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone is Cc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccn1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone?
The InChIKey is UKHLZDYXWGGPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-17-6-2-4-8-20(17)26-22-16-18(10-11-25-22)23(29)28-14-12-27(13-15-28)21-9-5-3-7-19(21)24/h2-11,16H,12-15H2,1H3,(H,25,26).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone has a molecular weight of 390.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone is sourced from PubChem (CID 109174472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).