N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide

C22H19BrN4 — CID 171367060

IUPACN'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(/N=C/N(C)C)n2)cc1
InChIInChI=1S/C22H19BrN4/c1-15-4-6-17(7-5-15)21-12-19(16-8-10-18(23)11-9-16)20(13-24)22(26-21)25-14-27(2)3/h4-12,14H,1-3H3/b25-14+
InChIKeyJGNUIRTZGGAMMY-AFUMVMLFSA-N
MW419.33 g/mol
LogP5.58
Rot. Bonds4

About N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide

N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide (PubChem CID 171367060) has the molecular formula C22H19BrN4 and a molecular weight of 419.33 g/mol. Its IUPAC name is N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
PubChem CID171367060
Molecular FormulaC22H19BrN4
Molecular Weight419.33 g/mol
Exact Mass418.08
IUPAC NameN'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(/N=C/N(C)C)n2)cc1
InChIInChI=1S/C22H19BrN4/c1-15-4-6-17(7-5-15)21-12-19(16-8-10-18(23)11-9-16)20(13-24)22(26-21)25-14-27(2)3/h4-12,14H,1-3H3/b25-14+
InChIKeyJGNUIRTZGGAMMY-AFUMVMLFSA-N
XLogP5.58
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 55.58
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'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 171366783
N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide
CID 3758823
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3396959
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile
CID 82094973
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile
CID 15133245
2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3366666
6-(4-methylphenyl)-4-(4-nitrophenyl)-2-propoxypyridine-3-carbonitrile
CID 169450172
6-(4-bromophenyl)-2-(methylsulfanylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3326274
6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2-ethoxypyridine-3-carbonitrile
CID 170458771

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide (CID 171367060) is N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide is Cc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(/N=C/N(C)C)n2)cc1.
What is the InChIKey of N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
The InChIKey is JGNUIRTZGGAMMY-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H19BrN4/c1-15-4-6-17(7-5-15)21-12-19(16-8-10-18(23)11-9-16)20(13-24)22(26-21)25-14-27(2)3/h4-12,14H,1-3H3/b25-14+.
What are the key properties of N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide?
N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide has a molecular weight of 419.33 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 171367060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).