N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide

C12H16N4 — CID 71307731

IUPACN'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCC(C)c1ccc(C#N)c(/N=C/N(C)C)n1
InChIInChI=1S/C12H16N4/c1-9(2)11-6-5-10(7-13)12(15-11)14-8-16(3)4/h5-6,8-9H,1-4H3/b14-8+
InChIKeyZHIQUUAOCPSGIX-RIYZIHGNSA-N
MW216.29 g/mol
LogP2.30
Rot. Bonds3

About N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 71307731) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID71307731
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCC(C)c1ccc(C#N)c(/N=C/N(C)C)n1
InChIInChI=1S/C12H16N4/c1-9(2)11-6-5-10(7-13)12(15-11)14-8-16(3)4/h5-6,8-9H,1-4H3/b14-8+
InChIKeyZHIQUUAOCPSGIX-RIYZIHGNSA-N
XLogP2.30
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 71307731) is N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide is CC(C)c1ccc(C#N)c(/N=C/N(C)C)n1.
What is the InChIKey of N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is ZHIQUUAOCPSGIX-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(2)11-6-5-10(7-13)12(15-11)14-8-16(3)4/h5-6,8-9H,1-4H3/b14-8+.
What are the key properties of N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 216.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-6-propan-2-yl-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 71307731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).