4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile

C12H13N5 — CID 55151643

IUPAC4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCN(Cc1nccn1C)c1ccnc(C#N)c1
InChIInChI=1S/C12H13N5/c1-16-6-5-15-12(16)9-17(2)11-3-4-14-10(7-11)8-13/h3-7H,9H2,1-2H3
InChIKeyJEOJBEQCTSWWLD-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.32
Rot. Bonds3

About 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile

4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 55151643) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
PubChem CID55151643
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCN(Cc1nccn1C)c1ccnc(C#N)c1
InChIInChI=1S/C12H13N5/c1-16-6-5-15-12(16)9-17(2)11-3-4-14-10(7-11)8-13/h3-7H,9H2,1-2H3
InChIKeyJEOJBEQCTSWWLD-UHFFFAOYSA-N
XLogP1.32
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544443
4-[methyl-[(2-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62491987
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 63234581
4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62925132
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979
4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
CID 81055827
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696115
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 78911727
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62925478
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile (CID 55151643) is 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile is CN(Cc1nccn1C)c1ccnc(C#N)c1.
What is the InChIKey of 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is JEOJBEQCTSWWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-16-6-5-15-12(16)9-17(2)11-3-4-14-10(7-11)8-13/h3-7H,9H2,1-2H3.
What are the key properties of 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile?
4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 55151643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).