5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile

C13H12N4 — CID 79839878

IUPAC5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
SMILESCc1ccc(CNc2ccc(C#N)nc2)cn1
InChIInChI=1S/C13H12N4/c1-10-2-3-11(7-15-10)8-16-13-5-4-12(6-14)17-9-13/h2-5,7,9,16H,8H2,1H3
InChIKeyMCEFFAMMQOJXQK-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.27
Rot. Bonds3

About 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile

5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile (PubChem CID 79839878) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
PubChem CID79839878
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
SMILESCc1ccc(CNc2ccc(C#N)nc2)cn1
InChIInChI=1S/C13H12N4/c1-10-2-3-11(7-15-10)8-16-13-5-4-12(6-14)17-9-13/h2-5,7,9,16H,8H2,1H3
InChIKeyMCEFFAMMQOJXQK-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

5-[(4-methylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 79840062
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271
5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
CID 79840154
5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile
CID 115490190
5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 79839784
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896
4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
CID 106750778
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 115488572
5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
CID 115487781

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile (CID 79839878) is 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile is Cc1ccc(CNc2ccc(C#N)nc2)cn1.
What is the InChIKey of 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is MCEFFAMMQOJXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-10-2-3-11(7-15-10)8-16-13-5-4-12(6-14)17-9-13/h2-5,7,9,16H,8H2,1H3.
What are the key properties of 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile?
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-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 5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79839878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).