4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile

C13H15N5O — CID 167930554

IUPAC4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1CN1CC(N2CCNC2=O)C1
InChIInChI=1S/C13H15N5O/c14-5-11-6-15-2-1-10(11)7-17-8-12(9-17)18-4-3-16-13(18)19/h1-2,6,12H,3-4,7-9H2,(H,16,19)
InChIKeyGMSDUPAHHUMWKP-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.16
Rot. Bonds3

About 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile

4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 167930554) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID167930554
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1CN1CC(N2CCNC2=O)C1
InChIInChI=1S/C13H15N5O/c14-5-11-6-15-2-1-10(11)7-17-8-12(9-17)18-4-3-16-13(18)19/h1-2,6,12H,3-4,7-9H2,(H,16,19)
InChIKeyGMSDUPAHHUMWKP-UHFFFAOYSA-N
XLogP0.16
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile
CID 114287581
1-(1-propylazetidin-3-yl)imidazolidin-2-one
CID 130647808
2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 47079116
3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
CID 133319615
4-[[(8aS)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile
CID 75368544
1-[(3S)-1-[(2-nitrophenyl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 94792411
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
5-chloro-2-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
CID 96547785
1-[(3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95151332
1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one
CID 114702369
4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile
CID 55263705
2-methoxy-5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]benzonitrile
CID 79096075

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile (CID 167930554) is 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1cnccc1CN1CC(N2CCNC2=O)C1.
What is the InChIKey of 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is GMSDUPAHHUMWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-5-11-6-15-2-1-10(11)7-17-8-12(9-17)18-4-3-16-13(18)19/h1-2,6,12H,3-4,7-9H2,(H,16,19).
What are the key properties of 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile?
4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 167930554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).