N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide

C15H17N3 — CID 3695091

IUPACN-phenyl-N'-propan-2-ylpyridine-3-carboximidamide
SMILESCC(C)/N=C(/Nc1ccccc1)c1cccnc1
InChIInChI=1S/C15H17N3/c1-12(2)17-15(13-7-6-10-16-11-13)18-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,17,18)
InChIKeyOWNVDQMMAGVGIL-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.35
Rot. Bonds3

About N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide

N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide (PubChem CID 3695091) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-phenyl-N'-propan-2-ylpyridine-3-carboximidamide
PubChem CID3695091
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-phenyl-N'-propan-2-ylpyridine-3-carboximidamide
SMILESCC(C)/N=C(/Nc1ccccc1)c1cccnc1
InChIInChI=1S/C15H17N3/c1-12(2)17-15(13-7-6-10-16-11-13)18-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,17,18)
InChIKeyOWNVDQMMAGVGIL-UHFFFAOYSA-N
XLogP3.35
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide 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-phenyl-N'-propan-2-ylpyridine-3-carboximidamide?
The IUPAC name of N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide (CID 3695091) is N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide.
What is the SMILES notation for N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide?
The canonical SMILES for N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide is CC(C)/N=C(/Nc1ccccc1)c1cccnc1.
What is the InChIKey of N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide?
The InChIKey is OWNVDQMMAGVGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-12(2)17-15(13-7-6-10-16-11-13)18-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,17,18).
What are the key properties of N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide?
N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide has a molecular weight of 239.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-propan-2-ylpyridine-3-carboximidamide is sourced from PubChem (CID 3695091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).