5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide

C24H23Cl2N5O2 — CID 18727852

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C24H23Cl2N5O2/c25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31/h1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33)
InChIKeyWBZWKNANAPPRNN-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.30
Rot. Bonds6

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide (PubChem CID 18727852) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide
PubChem CID18727852
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C24H23Cl2N5O2/c25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31/h1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33)
InChIKeyWBZWKNANAPPRNN-UHFFFAOYSA-N
XLogP4.30
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide (CID 18727852) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide is O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is WBZWKNANAPPRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c25-18-5-7-21(20(13-18)24(33)30-22-8-6-19(26)14-28-22)29-23(32)17-3-1-16(2-4-17)15-31-11-9-27-10-12-31/h1-8,13-14,27H,9-12,15H2,(H,29,32)(H,28,30,33).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 484.39 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperazin-1-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 18727852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).