1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine

C23H25ClN4 — CID 88706970

IUPAC1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccccc1/C(=N/c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C23H25ClN4/c1-28(2)16-14-20(25)18-11-6-7-12-19(18)22(17-9-4-3-5-10-17)27-21-13-8-15-26-23(21)24/h3-13,15,20H,14,16,25H2,1-2H3/b27-22+
InChIKeyVRAYLQFTKGGVKV-HPNDGRJYSA-N
MW392.93 g/mol
LogP4.86
Rot. Bonds7

About 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine

1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 88706970) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID88706970
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Name1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccccc1/C(=N/c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C23H25ClN4/c1-28(2)16-14-20(25)18-11-6-7-12-19(18)22(17-9-4-3-5-10-17)27-21-13-8-15-26-23(21)24/h3-13,15,20H,14,16,25H2,1-2H3/b27-22+
InChIKeyVRAYLQFTKGGVKV-HPNDGRJYSA-N
XLogP4.86
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine 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 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine (CID 88706970) is 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCC(N)c1ccccc1/C(=N/c1cccnc1Cl)c1ccccc1.
What is the InChIKey of 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is VRAYLQFTKGGVKV-HPNDGRJYSA-N. The full InChI is InChI=1S/C23H25ClN4/c1-28(2)16-14-20(25)18-11-6-7-12-19(18)22(17-9-4-3-5-10-17)27-21-13-8-15-26-23(21)24/h3-13,15,20H,14,16,25H2,1-2H3/b27-22+.
What are the key properties of 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine?
1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 392.93 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[N-(2-chloro-3-pyridinyl)-C-phenylcarbonimidoyl]phenyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 88706970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).