6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide

C22H26Cl2N4O2 — CID 24989747

IUPAC6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1
InChIInChI=1S/C22H26Cl2N4O2/c1-15(2)7-8-25-21(29)16-3-6-20(26-14-16)27-9-11-28(12-10-27)22(30)18-5-4-17(23)13-19(18)24/h3-6,13-15H,7-12H2,1-2H3,(H,25,29)
InChIKeyKMCHWZWCEXIOKJ-UHFFFAOYSA-N
MW449.38 g/mol
LogP4.13
Rot. Bonds6

About 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide

6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 24989747) has the molecular formula C22H26Cl2N4O2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID24989747
Molecular FormulaC22H26Cl2N4O2
Molecular Weight449.38 g/mol
Exact Mass448.14
IUPAC Name6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1
InChIInChI=1S/C22H26Cl2N4O2/c1-15(2)7-8-25-21(29)16-3-6-20(26-14-16)27-9-11-28(12-10-27)22(30)18-5-4-17(23)13-19(18)24/h3-6,13-15H,7-12H2,1-2H3,(H,25,29)
InChIKeyKMCHWZWCEXIOKJ-UHFFFAOYSA-N
XLogP4.13
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;N-(3-butoxypropyl)-6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 158351490
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151896
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 87555935
N-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-methylbenzamide
CID 42850069
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053000
6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 68740139
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide (CID 24989747) is 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1.
What is the InChIKey of 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is KMCHWZWCEXIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O2/c1-15(2)7-8-25-21(29)16-3-6-20(26-14-16)27-9-11-28(12-10-27)22(30)18-5-4-17(23)13-19(18)24/h3-6,13-15H,7-12H2,1-2H3,(H,25,29).
What are the key properties of 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide?
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 449.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 24989747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).