N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide

C23H21ClN4O2 — CID 55860616

IUPACN-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)n2)CC1)c1ccccc1
InChIInChI=1S/C23H21ClN4O2/c24-20-11-6-12-21(26-20)27-13-15-28(16-14-27)23(30)18-9-4-5-10-19(18)25-22(29)17-7-2-1-3-8-17/h1-12H,13-16H2,(H,25,29)
InChIKeyJABGTFQOXZUPBH-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.95
Rot. Bonds4

About N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide

N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 55860616) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide
PubChem CID55860616
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)n2)CC1)c1ccccc1
InChIInChI=1S/C23H21ClN4O2/c24-20-11-6-12-21(26-20)27-13-15-28(16-14-27)23(30)18-9-4-5-10-19(18)25-22(29)17-7-2-1-3-8-17/h1-12H,13-16H2,(H,25,29)
InChIKeyJABGTFQOXZUPBH-UHFFFAOYSA-N
XLogP3.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 134100572
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 75416999
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 171151506
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 4930482
N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55861643
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 3787929
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide (CID 55860616) is N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)n2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is JABGTFQOXZUPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c24-20-11-6-12-21(26-20)27-13-15-28(16-14-27)23(30)18-9-4-5-10-19(18)25-22(29)17-7-2-1-3-8-17/h1-12H,13-16H2,(H,25,29).
What are the key properties of N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide?
N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 420.90 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 55860616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).