5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide

C19H15N5O — CID 150546909

IUPAC5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide
SMILESN#Cc1ccc2c(c1)CN(C(=O)Nc1c(C#N)ccc3c1CNC3)C2
InChIInChI=1S/C19H15N5O/c20-6-12-1-2-15-10-24(11-16(15)5-12)19(25)23-18-13(7-21)3-4-14-8-22-9-17(14)18/h1-5,22H,8-11H2,(H,23,25)
InChIKeyIHAZMHQXZBUHIO-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.58
Rot. Bonds1

About 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide

5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 150546909) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID150546909
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide
SMILESN#Cc1ccc2c(c1)CN(C(=O)Nc1c(C#N)ccc3c1CNC3)C2
InChIInChI=1S/C19H15N5O/c20-6-12-1-2-15-10-24(11-16(15)5-12)19(25)23-18-13(7-21)3-4-14-8-22-9-17(14)18/h1-5,22H,8-11H2,(H,23,25)
InChIKeyIHAZMHQXZBUHIO-UHFFFAOYSA-N
XLogP2.58
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide with MolForge

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Related Compounds

N-(2-bromo-4-cyanophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998397
prop-1-en-2-yl 5-cyano-1,3-dihydroisoindole-2-carboxylate
CID 89026376
N-[(4-cyanophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998461
6-cyano-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167915463
4-cyano-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 121005559
2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999757
2-cyclopropyl-1,3-dihydroisoindole-5-carbonitrile
CID 82163959
4-methoxy-2,3-dihydro-1H-isoindole-5-carbonitrile
CID 130064527
3-chloro-4-(2,3-dihydro-1H-isoindol-4-yl)benzonitrile
CID 130430592
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
benzyl 6-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133059107
N-(5-cyano-2-methylphenyl)azepane-1-carboxamide
CID 78983990

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide (CID 150546909) is 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide is N#Cc1ccc2c(c1)CN(C(=O)Nc1c(C#N)ccc3c1CNC3)C2.
What is the InChIKey of 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is IHAZMHQXZBUHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-6-12-1-2-15-10-24(11-16(15)5-12)19(25)23-18-13(7-21)3-4-14-8-22-9-17(14)18/h1-5,22H,8-11H2,(H,23,25).
What are the key properties of 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide?
5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(5-cyano-2,3-dihydro-1H-isoindol-4-yl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 150546909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).