N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide

C18H14N6 — CID 3758823

IUPACN,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide
SMILESCc1ccc(-c2nc(N=CN(C)C)c(C#N)c(C#N)c2C#N)cc1
InChIInChI=1S/C18H14N6/c1-12-4-6-13(7-5-12)17-15(9-20)14(8-19)16(10-21)18(23-17)22-11-24(2)3/h4-7,11H,1-3H3
InChIKeyVNXHCFBYIHEAPR-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.89
Rot. Bonds3

About N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide

N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide (PubChem CID 3758823) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide
PubChem CID3758823
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC NameN,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide
SMILESCc1ccc(-c2nc(N=CN(C)C)c(C#N)c(C#N)c2C#N)cc1
InChIInChI=1S/C18H14N6/c1-12-4-6-13(7-5-12)17-15(9-20)14(8-19)16(10-21)18(23-17)22-11-24(2)3/h4-7,11H,1-3H3
InChIKeyVNXHCFBYIHEAPR-UHFFFAOYSA-N
XLogP2.89
TPSA99.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide (CID 3758823) is N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide is Cc1ccc(-c2nc(N=CN(C)C)c(C#N)c(C#N)c2C#N)cc1.
What is the InChIKey of N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide?
The InChIKey is VNXHCFBYIHEAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-12-4-6-13(7-5-12)17-15(9-20)14(8-19)16(10-21)18(23-17)22-11-24(2)3/h4-7,11H,1-3H3.
What are the key properties of N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide?
N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide has a molecular weight of 314.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)-2-pyridinyl]methanimidamide is sourced from PubChem (CID 3758823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).