4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile

C10H12N4 — CID 130670429

IUPAC4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile
SMILESCN1CC(Nc2ccnc(C#N)c2)C1
InChIInChI=1S/C10H12N4/c1-14-6-10(7-14)13-8-2-3-12-9(4-8)5-11/h2-4,10H,6-7H2,1H3,(H,12,13)
InChIKeyBWFDWGSFYDCJOJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.68
Rot. Bonds2

About 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile

4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile (PubChem CID 130670429) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile
PubChem CID130670429
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile
SMILESCN1CC(Nc2ccnc(C#N)c2)C1
InChIInChI=1S/C10H12N4/c1-14-6-10(7-14)13-8-2-3-12-9(4-8)5-11/h2-4,10H,6-7H2,1H3,(H,12,13)
InChIKeyBWFDWGSFYDCJOJ-UHFFFAOYSA-N
XLogP0.68
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 62924829
4-(oxan-4-ylamino)pyridine-2-carbonitrile
CID 62924649
4-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carbonitrile
CID 107850570
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
[(1R,3S)-3-[(2-cyano-4-pyridinyl)amino]cyclohexyl]carbamic acid
CID 174225540
4-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbonitrile
CID 62926735
4-[(2-ethylcyclohexyl)amino]pyridine-2-carbonitrile
CID 62926226
4-hydrazinylpyridine-2-carbonitrile
CID 62925156
4-(1-adamantylamino)pyridine-2-carbonitrile
CID 55156480
4-[(2-cyano-4-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66240697
4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 80681842
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
CID 61465381

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile (CID 130670429) is 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile is CN1CC(Nc2ccnc(C#N)c2)C1.
What is the InChIKey of 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile?
The InChIKey is BWFDWGSFYDCJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-14-6-10(7-14)13-8-2-3-12-9(4-8)5-11/h2-4,10H,6-7H2,1H3,(H,12,13).
What are the key properties of 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile?
4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylazetidin-3-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 130670429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).