6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile

C13H14N4 — CID 166906107

IUPAC6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile
SMILESC=C1N(C)C(C)=CN1c1cc(C)c(C#N)cn1
InChIInChI=1S/C13H14N4/c1-9-5-13(15-7-12(9)6-14)17-8-10(2)16(4)11(17)3/h5,7-8H,3H2,1-2,4H3
InChIKeyRNQCZNUWZFCZPP-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.35
Rot. Bonds1

About 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile

6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile (PubChem CID 166906107) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile
PubChem CID166906107
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile
SMILESC=C1N(C)C(C)=CN1c1cc(C)c(C#N)cn1
InChIInChI=1S/C13H14N4/c1-9-5-13(15-7-12(9)6-14)17-8-10(2)16(4)11(17)3/h5,7-8H,3H2,1-2,4H3
InChIKeyRNQCZNUWZFCZPP-UHFFFAOYSA-N
XLogP2.35
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile (CID 166906107) is 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile is C=C1N(C)C(C)=CN1c1cc(C)c(C#N)cn1.
What is the InChIKey of 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile?
The InChIKey is RNQCZNUWZFCZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9-5-13(15-7-12(9)6-14)17-8-10(2)16(4)11(17)3/h5,7-8H,3H2,1-2,4H3.
What are the key properties of 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile?
6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 166906107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).