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

C25H23ClN4O2 — CID 59585456

IUPACN-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1
InChIInChI=1S/C25H23ClN4O2/c26-20-11-12-23(28-16-20)29-25(32)21-6-2-1-5-19(21)15-22(31)17-7-9-18(10-8-17)24(27)30-13-3-4-14-30/h1-2,5-12,16,27H,3-4,13-15H2,(H,28,29,32)/b27-24-
InChIKeyLCKHNFLPUQQHFG-PNHLSOANSA-N
MW446.94 g/mol
LogP4.83
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 59585456) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
PubChem CID59585456
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1
InChIInChI=1S/C25H23ClN4O2/c26-20-11-12-23(28-16-20)29-25(32)21-6-2-1-5-19(21)15-22(31)17-7-9-18(10-8-17)24(27)30-13-3-4-14-30/h1-2,5-12,16,27H,3-4,13-15H2,(H,28,29,32)/b27-24-
InChIKeyLCKHNFLPUQQHFG-PNHLSOANSA-N
XLogP4.83
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.83
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'}

Analyze N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 59585456) is N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The InChIKey is LCKHNFLPUQQHFG-PNHLSOANSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c26-20-11-12-23(28-16-20)29-25(32)21-6-2-1-5-19(21)15-22(31)17-7-9-18(10-8-17)24(27)30-13-3-4-14-30/h1-2,5-12,16,27H,3-4,13-15H2,(H,28,29,32)/b27-24-.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?
N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 446.94 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 59585456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).