N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide

C21H18N4 — CID 171366783

IUPACN'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C21H18N4/c1-25(2)15-23-21-19(14-22)18(16-9-5-3-6-10-16)13-20(24-21)17-11-7-4-8-12-17/h3-13,15H,1-2H3/b23-15+
InChIKeyJCBCRPLTNBQANR-HZHRSRAPSA-N
MW326.40 g/mol
LogP4.51
Rot. Bonds4

About N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 171366783) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID171366783
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C21H18N4/c1-25(2)15-23-21-19(14-22)18(16-9-5-3-6-10-16)13-20(24-21)17-11-7-4-8-12-17/h3-13,15H,1-2H3/b23-15+
InChIKeyJCBCRPLTNBQANR-HZHRSRAPSA-N
XLogP4.51
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 171367060
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
N'-(3-cyano-5-methyl-6-phenylpyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 23990833
N'-(3,5-dicyano-4-methyl-6-phenoxy-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 12736670
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 44522390
N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide
CID 3758823
2-(2-methylanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 35214913
4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile
CID 35212524
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292
copper;2,4-dimethyl-6-phenylpyridine-3-carbonitrile;dibromide
CID 68902117

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 171366783) is N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is JCBCRPLTNBQANR-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H18N4/c1-25(2)15-23-21-19(14-22)18(16-9-5-3-6-10-16)13-20(24-21)17-11-7-4-8-12-17/h3-13,15H,1-2H3/b23-15+.
What are the key properties of N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 326.40 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 171366783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).