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

C29H34ClN5O2 — CID 162097607

IUPACN-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
SMILESC.[H]/N=C(/c1ccc(C(=O)Cc2ccc(N(C)C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C28H30ClN5O2.CH4/c1-33(2)23-12-10-21(24(17-23)28(36)32-26-13-11-22(29)18-31-26)16-25(35)19-6-8-20(9-7-19)27(30)34-14-4-3-5-15-34;/h6-13,17-18,30H,3-5,14-16H2,1-2H3,(H,31,32,36);1H4/b30-27-;
InChIKeyZELOAFKROVDXOP-NHUYCKTKSA-N
MW520.08 g/mol
LogP5.93
Rot. Bonds7

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

N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane (PubChem CID 162097607) has the molecular formula C29H34ClN5O2 and a molecular weight of 520.08 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
PubChem CID162097607
Molecular FormulaC29H34ClN5O2
Molecular Weight520.08 g/mol
Exact Mass519.24
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
SMILESC.[H]/N=C(/c1ccc(C(=O)Cc2ccc(N(C)C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C28H30ClN5O2.CH4/c1-33(2)23-12-10-21(24(17-23)28(36)32-26-13-11-22(29)18-31-26)16-25(35)19-6-8-20(9-7-19)27(30)34-14-4-3-5-15-34;/h6-13,17-18,30H,3-5,14-16H2,1-2H3,(H,31,32,36);1H4/b30-27-;
InChIKeyZELOAFKROVDXOP-NHUYCKTKSA-N
XLogP5.93
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.08
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 159566547
N-(5-chloro-2-pyridinyl)-5-morpholin-4-yl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 159323440
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 161013307
5-chloro-N-(4-chlorophenyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 158539100
2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide
CID 157462733
N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide;methane
CID 160520067
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
2-[2-[4-(azepane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-cyclopentylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
CID 158769456
5-chloro-N-(5-chloro-2-pyridinyl)-3-(dimethylamino)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18727864
5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide
CID 59089793
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]-3-methoxybenzamide;methane
CID 158673268
2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 157266221

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane (CID 162097607) is N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane is C.[H]/N=C(/c1ccc(C(=O)Cc2ccc(N(C)C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane?
The InChIKey is ZELOAFKROVDXOP-NHUYCKTKSA-N. The full InChI is InChI=1S/C28H30ClN5O2.CH4/c1-33(2)23-12-10-21(24(17-23)28(36)32-26-13-11-22(29)18-31-26)16-25(35)19-6-8-20(9-7-19)27(30)34-14-4-3-5-15-34;/h6-13,17-18,30H,3-5,14-16H2,1-2H3,(H,31,32,36);1H4/b30-27-;.
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane?
N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane has a molecular weight of 520.08 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane is sourced from PubChem (CID 162097607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).