6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile

C14H16N6O — CID 66895451

IUPAC6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNCC(=O)N2CCC2C#N)nc1
InChIInChI=1S/C14H16N6O/c15-7-11-1-2-13(19-9-11)18-5-4-17-10-14(21)20-6-3-12(20)8-16/h1-2,9,12,17H,3-6,10H2,(H,18,19)
InChIKeyISTURORSKCQKRG-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.08
Rot. Bonds6

About 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile

6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 66895451) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID66895451
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNCC(=O)N2CCC2C#N)nc1
InChIInChI=1S/C14H16N6O/c15-7-11-1-2-13(19-9-11)18-5-4-17-10-14(21)20-6-3-12(20)8-16/h1-2,9,12,17H,3-6,10H2,(H,18,19)
InChIKeyISTURORSKCQKRG-UHFFFAOYSA-N
XLogP0.08
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-[[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 91182310
6-[[(1R,4S)-4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopent-2-en-1-yl]methylamino]pyridine-3-carbonitrile
CID 69483521
6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 69483338
6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 87791280
6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile
CID 69483161
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
CID 70343808
6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile
CID 139926624
6-[2-[[1-(2-cyanopyrrolidin-1-yl)-2-hydroxyethylidene]amino]ethylamino]pyridine-3-carbonitrile
CID 91282505
1-[2-[(5-cyano-2-pyridinyl)amino]ethyl-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]oxyethyl acetate
CID 10180967
N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 43073880

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile (CID 66895451) is 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCNCC(=O)N2CCC2C#N)nc1.
What is the InChIKey of 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is ISTURORSKCQKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-7-11-1-2-13(19-9-11)18-5-4-17-10-14(21)20-6-3-12(20)8-16/h1-2,9,12,17H,3-6,10H2,(H,18,19).
What are the key properties of 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 66895451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).