N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide

C19H17N3 — CID 155669015

IUPACN'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide
SMILESCc1ccc(-c2ccc(/N=C(\N)c3ccccc3)nc2)cc1
InChIInChI=1S/C19H17N3/c1-14-7-9-15(10-8-14)17-11-12-18(21-13-17)22-19(20)16-5-3-2-4-6-16/h2-13H,1H3,(H2,20,21,22)
InChIKeyWPKGHLSFTCUSAN-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.09
Rot. Bonds3

About N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide

N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide (PubChem CID 155669015) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide
PubChem CID155669015
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC NameN'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide
SMILESCc1ccc(-c2ccc(/N=C(\N)c3ccccc3)nc2)cc1
InChIInChI=1S/C19H17N3/c1-14-7-9-15(10-8-14)17-11-12-18(21-13-17)22-19(20)16-5-3-2-4-6-16/h2-13H,1H3,(H2,20,21,22)
InChIKeyWPKGHLSFTCUSAN-UHFFFAOYSA-N
XLogP4.09
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.09
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'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-N'-[5-(4-methylphenyl)-2-pyridinyl]-4-oxo-1H-quinoline-2-carboximidamide
CID 165401170
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112
N'-amino-4-(4-methylphenyl)benzenecarboximidamide
CID 6860627
N'-(5-bromo-2-pyridinyl)-4-chlorobenzenecarboximidamide
CID 119056721
methyl N'-(5-methyl-2-pyridinyl)carbamimidothioate;hydroiodide
CID 67531701
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165168249
5-methyl-2-(4-methylphenyl)-3-phenylpyridine
CID 142961722
4-methyl-N'-naphthalen-2-ylbenzenecarboximidamide
CID 12647669
N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide
CID 175066088
N'-methoxy-4-[6-[4-[(E)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]benzenecarboximidamide
CID 11849847
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide?
The IUPAC name of N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide (CID 155669015) is N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide.
What is the SMILES notation for N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide?
The canonical SMILES for N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide is Cc1ccc(-c2ccc(/N=C(\N)c3ccccc3)nc2)cc1.
What is the InChIKey of N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide?
The InChIKey is WPKGHLSFTCUSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-14-7-9-15(10-8-14)17-11-12-18(21-13-17)22-19(20)16-5-3-2-4-6-16/h2-13H,1H3,(H2,20,21,22).
What are the key properties of N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide?
N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide has a molecular weight of 287.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide is sourced from PubChem (CID 155669015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).