2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide

C24H29ClN4O — CID 165118775

IUPAC2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C3=CCN(C)CC3)cc2Cl)ccc1N1CCNCC1
InChIInChI=1S/C24H29ClN4O/c1-17-15-20(4-6-23(17)29-13-9-26-10-14-29)27-24(30)21-5-3-19(16-22(21)25)18-7-11-28(2)12-8-18/h3-7,15-16,26H,8-14H2,1-2H3,(H,27,30)
InChIKeyZMQJAUCZKHISJL-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.03
Rot. Bonds4

About 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide

2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide (PubChem CID 165118775) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide
PubChem CID165118775
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C3=CCN(C)CC3)cc2Cl)ccc1N1CCNCC1
InChIInChI=1S/C24H29ClN4O/c1-17-15-20(4-6-23(17)29-13-9-26-10-14-29)27-24(30)21-5-3-19(16-22(21)25)18-7-11-28(2)12-8-18/h3-7,15-16,26H,8-14H2,1-2H3,(H,27,30)
InChIKeyZMQJAUCZKHISJL-UHFFFAOYSA-N
XLogP4.03
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689132
2-chloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-nitrobenzamide
CID 2981763
N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide
CID 166276863
2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686600
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 51273364
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257
N-(2,6-dichlorophenyl)-4-methoxy-2-(3-methyl-4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 171834950
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 6461050
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91676429
3,4-dichloro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689107

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide?
The IUPAC name of 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide (CID 165118775) is 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(C3=CCN(C)CC3)cc2Cl)ccc1N1CCNCC1.
What is the InChIKey of 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide?
The InChIKey is ZMQJAUCZKHISJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-17-15-20(4-6-23(17)29-13-9-26-10-14-29)27-24(30)21-5-3-19(16-22(21)25)18-7-11-28(2)12-8-18/h3-7,15-16,26H,8-14H2,1-2H3,(H,27,30).
What are the key properties of 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide?
2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide has a molecular weight of 424.98 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide is sourced from PubChem (CID 165118775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).