4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile

C15H13N3 — CID 63885388

IUPAC4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2Cc3ccccc3C2)ccn1
InChIInChI=1S/C15H13N3/c16-8-15-7-12(5-6-17-15)9-18-10-13-3-1-2-4-14(13)11-18/h1-7H,9-11H2
InChIKeyHEPIULQUIKCMTO-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.47
Rot. Bonds2

About 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile

4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile (PubChem CID 63885388) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
PubChem CID63885388
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2Cc3ccccc3C2)ccn1
InChIInChI=1S/C15H13N3/c16-8-15-7-12(5-6-17-15)9-18-10-13-3-1-2-4-14(13)11-18/h1-7H,9-11H2
InChIKeyHEPIULQUIKCMTO-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

4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine
CID 55075288
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
CID 63885775
4-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)pyridine-2-carbonitrile
CID 63881394
4-(3-azaspiro[5.5]undecan-3-ylmethyl)pyridine-2-carbonitrile
CID 63886161
4-[(3-aminopiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63882954
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridine-2-carbonitrile
CID 63885765
4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 115305378
4-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 58394785
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856
4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 103533479

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile (CID 63885388) is 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile is N#Cc1cc(CN2Cc3ccccc3C2)ccn1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile?
The InChIKey is HEPIULQUIKCMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-8-15-7-12(5-6-17-15)9-18-10-13-3-1-2-4-14(13)11-18/h1-7H,9-11H2.
What are the key properties of 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile?
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-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 4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 63885388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).