5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide

C26H27Cl2N5O — CID 59089793

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide
SMILES[H]/N=C(/c1ccc(CNc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C26H27Cl2N5O/c1-17-13-21(28)14-22(26(34)32-23-10-9-20(27)16-30-23)24(17)31-15-18-5-7-19(8-6-18)25(29)33-11-3-2-4-12-33/h5-10,13-14,16,29,31H,2-4,11-12,15H2,1H3,(H,30,32,34)/b29-25-
InChIKeyOEUYBSNNQIAFKM-GNVQSUKOSA-N
MW496.44 g/mol
LogP6.37
Rot. Bonds6

About 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide (PubChem CID 59089793) has the molecular formula C26H27Cl2N5O and a molecular weight of 496.44 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide
PubChem CID59089793
Molecular FormulaC26H27Cl2N5O
Molecular Weight496.44 g/mol
Exact Mass495.16
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide
SMILES[H]/N=C(/c1ccc(CNc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C26H27Cl2N5O/c1-17-13-21(28)14-22(26(34)32-23-10-9-20(27)16-30-23)24(17)31-15-18-5-7-19(8-6-18)25(29)33-11-3-2-4-12-33/h5-10,13-14,16,29,31H,2-4,11-12,15H2,1H3,(H,30,32,34)/b29-25-
InChIKeyOEUYBSNNQIAFKM-GNVQSUKOSA-N
XLogP6.37
TPSA81.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 56.37
H-Bond Donors ≤ 53
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-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide
CID 59089751
N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methylamino]benzamide
CID 18728185
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 161013307
2-[5-chloro-3-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]phenoxy]acetic acid
CID 18727661
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187
5-chloro-N-(5-chloro-2-pyridinyl)-3-morpholin-4-yl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18727887
N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide;methane
CID 160520067
5-chloro-N-(5-chloro-2-pyridinyl)-3-(dimethylamino)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18727864
N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 159566547
5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 59020840
N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 162097607
2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide
CID 157462733

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide (CID 59089793) is 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide is [H]/N=C(/c1ccc(CNc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide?
The InChIKey is OEUYBSNNQIAFKM-GNVQSUKOSA-N. The full InChI is InChI=1S/C26H27Cl2N5O/c1-17-13-21(28)14-22(26(34)32-23-10-9-20(27)16-30-23)24(17)31-15-18-5-7-19(8-6-18)25(29)33-11-3-2-4-12-33/h5-10,13-14,16,29,31H,2-4,11-12,15H2,1H3,(H,30,32,34)/b29-25-.
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide has a molecular weight of 496.44 g/mol, XLogP of 6.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-3-methyl-2-[[4-(piperidine-1-carboximidoyl)phenyl]methylamino]benzamide is sourced from PubChem (CID 59089793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).