2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile

C15H13N3 — CID 82163939

IUPAC2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CN(Cc1cccnc1)C2
InChIInChI=1S/C15H13N3/c16-7-12-3-4-14-10-18(11-15(14)6-12)9-13-2-1-5-17-8-13/h1-6,8H,9-11H2
InChIKeyGWXNQCGSENTYIT-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.47
Rot. Bonds2

About 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile

2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile (PubChem CID 82163939) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile
PubChem CID82163939
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CN(Cc1cccnc1)C2
InChIInChI=1S/C15H13N3/c16-7-12-3-4-14-10-18(11-15(14)6-12)9-13-2-1-5-17-8-13/h1-6,8H,9-11H2
InChIKeyGWXNQCGSENTYIT-UHFFFAOYSA-N
XLogP2.47
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl]-1,3-dihydroisoindole-5-carbonitrile
CID 82163958
2-(1-benzylpiperidin-4-yl)-1,3-dihydroisoindole-5-carbonitrile
CID 94778714
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 104715308
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
3-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorobenzonitrile
CID 62205553
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388
3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile
CID 114480999
6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 122564334
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 38506453
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133369865

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile?
The IUPAC name of 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile (CID 82163939) is 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile is N#Cc1ccc2c(c1)CN(Cc1cccnc1)C2.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile?
The InChIKey is GWXNQCGSENTYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-7-12-3-4-14-10-18(11-15(14)6-12)9-13-2-1-5-17-8-13/h1-6,8H,9-11H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile?
2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile is sourced from PubChem (CID 82163939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).