5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

C26H24BrClN4O2 — CID 149169697

IUPAC5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C26H24BrClN4O2/c27-20-9-8-19(22(15-20)26(34)31-24-11-10-21(28)16-30-24)14-23(33)17-4-6-18(7-5-17)25(29)32-12-2-1-3-13-32/h4-11,15-16,29H,1-3,12-14H2,(H,30,31,34)/b29-25-
InChIKeyWYUTYFDZRYVGSD-GNVQSUKOSA-N
MW539.86 g/mol
LogP5.99
Rot. Bonds6

About 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 149169697) has the molecular formula C26H24BrClN4O2 and a molecular weight of 539.86 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
PubChem CID149169697
Molecular FormulaC26H24BrClN4O2
Molecular Weight539.86 g/mol
Exact Mass538.08
IUPAC Name5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C26H24BrClN4O2/c27-20-9-8-19(22(15-20)26(34)31-24-11-10-21(28)16-30-24)14-23(33)17-4-6-18(7-5-17)25(29)32-12-2-1-3-13-32/h4-11,15-16,29H,1-3,12-14H2,(H,30,31,34)/b29-25-
InChIKeyWYUTYFDZRYVGSD-GNVQSUKOSA-N
XLogP5.99
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.86
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 44449252
5-bromo-N-(5-chloropyridin-2-yl)naphthalene-1-carboxamide
CID 1016141
Biphenyl-2-carboxylic acid (5-chloro-pyridin-2-yl)-amide
CID 602354
4-Bromo-N-(5-chloro-2-pyridyl)benzamide
CID 603892
2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-N,N'-dipyridin-2-ylpropanediamide
CID 127025116
2-[1-(4-bromophenyl)-3-oxo-3-phenylpropyl]-N,N'-dipyridin-2-ylpropanediamide
CID 155524796
3-bromo-N-(5-chloropyridin-2-yl)benzamide
CID 603300
4-bromo-N-(3-chloropyridin-2-yl)benzamide
CID 939540
3-bromo-N-(3-chloropyridin-2-yl)benzamide
CID 931494
N-(5-chloropyridin-2-yl)-5-oxo-5-phenylpentanamide
CID 6624501
N-(5-bromo-2-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 11361776
N-[[5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2-chloro-6-fluorobenzamide
CID 53790226

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 149169697) is 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.
What is the InChIKey of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The InChIKey is WYUTYFDZRYVGSD-GNVQSUKOSA-N. The full InChI is InChI=1S/C26H24BrClN4O2/c27-20-9-8-19(22(15-20)26(34)31-24-11-10-21(28)16-30-24)14-23(33)17-4-6-18(7-5-17)25(29)32-12-2-1-3-13-32/h4-11,15-16,29H,1-3,12-14H2,(H,30,31,34)/b29-25-.
What are the key properties of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 539.86 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 149169697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).