2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile

C13H12N4 — CID 62307193

IUPAC2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
SMILESCc1cccc(CNc2cc(C#N)ccn2)n1
InChIInChI=1S/C13H12N4/c1-10-3-2-4-12(17-10)9-16-13-7-11(8-14)5-6-15-13/h2-7H,9H2,1H3,(H,15,16)
InChIKeyIFOFSBLKLCBIOE-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.27
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile

2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile (PubChem CID 62307193) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
PubChem CID62307193
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
SMILESCc1cccc(CNc2cc(C#N)ccn2)n1
InChIInChI=1S/C13H12N4/c1-10-3-2-4-12(17-10)9-16-13-7-11(8-14)5-6-15-13/h2-7H,9H2,1H3,(H,15,16)
InChIKeyIFOFSBLKLCBIOE-UHFFFAOYSA-N
XLogP2.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 55057435
4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80821682
2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 81274208
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481
2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822100
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile
CID 61284852
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79552994
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63961124

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile (CID 62307193) is 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile is Cc1cccc(CNc2cc(C#N)ccn2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is IFOFSBLKLCBIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-10-3-2-4-12(17-10)9-16-13-7-11(8-14)5-6-15-13/h2-7H,9H2,1H3,(H,15,16).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile?
2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 62307193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).