N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide

C24H22Cl2N4O2 — CID 42850069

IUPACN-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1
InChIInChI=1S/C24H22Cl2N4O2/c1-16-4-2-3-5-19(16)23(31)28-18-7-9-22(27-15-18)29-10-12-30(13-11-29)24(32)20-8-6-17(25)14-21(20)26/h2-9,14-15H,10-13H2,1H3,(H,28,31)
InChIKeyUTCRWGOYCVIKOC-UHFFFAOYSA-N
MW469.37 g/mol
LogP4.91
Rot. Bonds4

About N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide

N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide (PubChem CID 42850069) has the molecular formula C24H22Cl2N4O2 and a molecular weight of 469.37 g/mol. Its IUPAC name is N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide
PubChem CID42850069
Molecular FormulaC24H22Cl2N4O2
Molecular Weight469.37 g/mol
Exact Mass468.11
IUPAC NameN-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1
InChIInChI=1S/C24H22Cl2N4O2/c1-16-4-2-3-5-19(16)23(31)28-18-7-9-22(27-15-18)29-10-12-30(13-11-29)24(32)20-8-6-17(25)14-21(20)26/h2-9,14-15H,10-13H2,1H3,(H,28,31)
InChIKeyUTCRWGOYCVIKOC-UHFFFAOYSA-N
XLogP4.91
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 83290375
N-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-methylbenzamide
CID 42857024
1-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(4-methoxyphenyl)urea
CID 46053585
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
1-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 42850132
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041984
1-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46042109
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041854
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide (CID 42850069) is N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1.
What is the InChIKey of N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide?
The InChIKey is UTCRWGOYCVIKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2/c1-16-4-2-3-5-19(16)23(31)28-18-7-9-22(27-15-18)29-10-12-30(13-11-29)24(32)20-8-6-17(25)14-21(20)26/h2-9,14-15H,10-13H2,1H3,(H,28,31).
What are the key properties of N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide?
N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide has a molecular weight of 469.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 42850069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).