6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile

C14H12N4 — CID 23052846

IUPAC6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#CC1=C(N)NC=C2CN(c3ccccc3)C=C21
InChIInChI=1S/C14H12N4/c15-6-12-13-9-18(11-4-2-1-3-5-11)8-10(13)7-17-14(12)16/h1-5,7,9,17H,8,16H2
InChIKeyUVNBWLQGZUGNQB-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.57
Rot. Bonds1

About 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile

6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (PubChem CID 23052846) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
PubChem CID23052846
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#CC1=C(N)NC=C2CN(c3ccccc3)C=C21
InChIInChI=1S/C14H12N4/c15-6-12-13-9-18(11-4-2-1-3-5-11)8-10(13)7-17-14(12)16/h1-5,7,9,17H,8,16H2
InChIKeyUVNBWLQGZUGNQB-UHFFFAOYSA-N
XLogP1.57
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The IUPAC name of 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (CID 23052846) is 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.
What is the SMILES notation for 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The canonical SMILES for 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is N#CC1=C(N)NC=C2CN(c3ccccc3)C=C21.
What is the InChIKey of 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The InChIKey is UVNBWLQGZUGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-6-12-13-9-18(11-4-2-1-3-5-11)8-10(13)7-17-14(12)16/h1-5,7,9,17H,8,16H2.
What are the key properties of 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-phenyl-3,5-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is sourced from PubChem (CID 23052846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).