2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile

C13H12N4 — CID 43565692

IUPAC2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCN(Cc1ccccn1)c1cc(C#N)ccn1
InChIInChI=1S/C13H12N4/c1-17(10-12-4-2-3-6-15-12)13-8-11(9-14)5-7-16-13/h2-8H,10H2,1H3
InChIKeyIAVAZEFBICKOKP-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.98
Rot. Bonds3

About 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile

2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile (PubChem CID 43565692) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
PubChem CID43565692
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCN(Cc1ccccn1)c1cc(C#N)ccn1
InChIInChI=1S/C13H12N4/c1-17(10-12-4-2-3-6-15-12)13-8-11(9-14)5-7-16-13/h2-8H,10H2,1H3
InChIKeyIAVAZEFBICKOKP-UHFFFAOYSA-N
XLogP1.98
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
CID 102815403
2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
CID 79858347
3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 62968974
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
CID 55233709
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 43273063
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 63274025
N-methyl-2-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 62282399
N-methyl-6-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 66456024
4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 115116827
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile (CID 43565692) is 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile is CN(Cc1ccccn1)c1cc(C#N)ccn1.
What is the InChIKey of 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile?
The InChIKey is IAVAZEFBICKOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-17(10-12-4-2-3-6-15-12)13-8-11(9-14)5-7-16-13/h2-8H,10H2,1H3.
What are the key properties of 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile?
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 43565692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).