2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide

C24H22F2N4O2 — CID 46041854

IUPAC2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1
InChIInChI=1S/C24H22F2N4O2/c1-16-2-4-17(5-3-16)24(32)30-12-10-29(11-13-30)22-9-7-19(15-27-22)28-23(31)20-8-6-18(25)14-21(20)26/h2-9,14-15H,10-13H2,1H3,(H,28,31)
InChIKeySSUITJVIEGZJOU-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.88
Rot. Bonds4

About 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide

2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 46041854) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID46041854
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC Name2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1
InChIInChI=1S/C24H22F2N4O2/c1-16-2-4-17(5-3-16)24(32)30-12-10-29(11-13-30)22-9-7-19(15-27-22)28-23(31)20-8-6-18(25)14-21(20)26/h2-9,14-15H,10-13H2,1H3,(H,28,31)
InChIKeySSUITJVIEGZJOU-UHFFFAOYSA-N
XLogP3.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 46053350
2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850153
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
2,4-difluoro-N-[6-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053345
N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053170
N-[6-[4-(2,4-difluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-dimethoxybenzamide
CID 46053280
N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 42856893
N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041984
1-[6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(3-methylphenyl)urea
CID 46053438
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 46041854) is 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide is Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1.
What is the InChIKey of 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is SSUITJVIEGZJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-16-2-4-17(5-3-16)24(32)30-12-10-29(11-13-30)22-9-7-19(15-27-22)28-23(31)20-8-6-18(25)14-21(20)26/h2-9,14-15H,10-13H2,1H3,(H,28,31).
What are the key properties of 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 436.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 46041854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).