N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide

C24H24ClN5O2 — CID 58447650

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(Cl)c4)cc3)nc2)CC1
InChIInChI=1S/C24H24ClN5O2/c1-17(31)29-10-12-30(13-11-29)21-6-7-23(27-16-21)28-24(32)14-18-2-4-19(5-3-18)20-8-9-26-22(25)15-20/h2-9,15-16H,10-14H2,1H3,(H,27,28,32)
InChIKeyIVVKERSPSXZXBI-UHFFFAOYSA-N
MW449.94 g/mol
LogP3.65
Rot. Bonds5

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide (PubChem CID 58447650) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide
PubChem CID58447650
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(Cl)c4)cc3)nc2)CC1
InChIInChI=1S/C24H24ClN5O2/c1-17(31)29-10-12-30(13-11-29)21-6-7-23(27-16-21)28-24(32)14-18-2-4-19(5-3-18)20-8-9-26-22(25)15-20/h2-9,15-16H,10-14H2,1H3,(H,27,28,32)
InChIKeyIVVKERSPSXZXBI-UHFFFAOYSA-N
XLogP3.65
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide (CID 58447650) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(Cl)c4)cc3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide?
The InChIKey is IVVKERSPSXZXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-17(31)29-10-12-30(13-11-29)21-6-7-23(27-16-21)28-24(32)14-18-2-4-19(5-3-18)20-8-9-26-22(25)15-20/h2-9,15-16H,10-14H2,1H3,(H,27,28,32).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide has a molecular weight of 449.94 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-chloro-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 58447650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).