5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide

C25H32Cl2N4O — CID 54010729

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide
SMILESCN(c1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C25H32Cl2N4O/c1-30(20-12-14-31(15-13-20)21-6-4-2-3-5-7-21)23-10-8-18(26)16-22(23)25(32)29-24-11-9-19(27)17-28-24/h8-11,16-17,20-21H,2-7,12-15H2,1H3,(H,28,29,32)
InChIKeyKSDNTQHEJMBZDO-UHFFFAOYSA-N
MW475.46 g/mol
LogP6.26
Rot. Bonds5

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide (PubChem CID 54010729) has the molecular formula C25H32Cl2N4O and a molecular weight of 475.46 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide
PubChem CID54010729
Molecular FormulaC25H32Cl2N4O
Molecular Weight475.46 g/mol
Exact Mass474.20
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide
SMILESCN(c1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C25H32Cl2N4O/c1-30(20-12-14-31(15-13-20)21-6-4-2-3-5-7-21)23-10-8-18(26)16-22(23)25(32)29-24-11-9-19(27)17-28-24/h8-11,16-17,20-21H,2-7,12-15H2,1H3,(H,28,29,32)
InChIKeyKSDNTQHEJMBZDO-UHFFFAOYSA-N
XLogP6.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide (CID 54010729) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide is CN(c1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide?
The InChIKey is KSDNTQHEJMBZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N4O/c1-30(20-12-14-31(15-13-20)21-6-4-2-3-5-7-21)23-10-8-18(26)16-22(23)25(32)29-24-11-9-19(27)17-28-24/h8-11,16-17,20-21H,2-7,12-15H2,1H3,(H,28,29,32).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide has a molecular weight of 475.46 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide is sourced from PubChem (CID 54010729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).