3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile

C19H15N5O — CID 166486707

IUPAC3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
SMILESCc1cc(N2CC(C#N)N(c3cncc4ccccc34)C2=O)ccn1
InChIInChI=1S/C19H15N5O/c1-13-8-15(6-7-22-13)23-12-16(9-20)24(19(23)25)18-11-21-10-14-4-2-3-5-17(14)18/h2-8,10-11,16H,12H2,1H3
InChIKeyYCSHHORBMWTTPW-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.28
Rot. Bonds2

About 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile

3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486707) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486707
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
SMILESCc1cc(N2CC(C#N)N(c3cncc4ccccc34)C2=O)ccn1
InChIInChI=1S/C19H15N5O/c1-13-8-15(6-7-22-13)23-12-16(9-20)24(19(23)25)18-11-21-10-14-4-2-3-5-17(14)18/h2-8,10-11,16H,12H2,1H3
InChIKeyYCSHHORBMWTTPW-UHFFFAOYSA-N
XLogP3.28
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile (CID 166486707) is 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile is Cc1cc(N2CC(C#N)N(c3cncc4ccccc34)C2=O)ccn1.
What is the InChIKey of 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is YCSHHORBMWTTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-8-15(6-7-22-13)23-12-16(9-20)24(19(23)25)18-11-21-10-14-4-2-3-5-17(14)18/h2-8,10-11,16H,12H2,1H3.
What are the key properties of 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile?
3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).