6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile

C15H14N4 — CID 54213695

IUPAC6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#Cc1c(N)ncc2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H14N4/c16-6-13-14-10-19(8-11-4-2-1-3-5-11)9-12(14)7-18-15(13)17/h1-5,7H,8-10H2,(H2,17,18)
InChIKeyPXQULCJABTYAJK-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.05
Rot. Bonds2

About 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile

6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (PubChem CID 54213695) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
PubChem CID54213695
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#Cc1c(N)ncc2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H14N4/c16-6-13-14-10-19(8-11-4-2-1-3-5-11)9-12(14)7-18-15(13)17/h1-5,7H,8-10H2,(H2,17,18)
InChIKeyPXQULCJABTYAJK-UHFFFAOYSA-N
XLogP2.05
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The IUPAC name of 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (CID 54213695) is 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.
What is the SMILES notation for 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The canonical SMILES for 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is N#Cc1c(N)ncc2c1CN(Cc1ccccc1)C2.
What is the InChIKey of 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The InChIKey is PXQULCJABTYAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-6-13-14-10-19(8-11-4-2-1-3-5-11)9-12(14)7-18-15(13)17/h1-5,7H,8-10H2,(H2,17,18).
What are the key properties of 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is sourced from PubChem (CID 54213695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).