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

C14H12N4 — CID 54369933

IUPAC6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#Cc1c(N)ncc2c1CN(c1ccccc1)C2
InChIInChI=1S/C14H12N4/c15-6-12-13-9-18(11-4-2-1-3-5-11)8-10(13)7-17-14(12)16/h1-5,7H,8-9H2,(H2,16,17)
InChIKeyUSLHACQESYJKKQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.06
Rot. Bonds1

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

6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (PubChem CID 54369933) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
PubChem CID54369933
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
SMILESN#Cc1c(N)ncc2c1CN(c1ccccc1)C2
InChIInChI=1S/C14H12N4/c15-6-12-13-9-18(11-4-2-1-3-5-11)8-10(13)7-17-14(12)16/h1-5,7H,8-9H2,(H2,16,17)
InChIKeyUSLHACQESYJKKQ-UHFFFAOYSA-N
XLogP2.06
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
CID 54213695
4-amino-1-phenyl-2,5-dihydropyrrole-3-carbonitrile
CID 15076037
7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile
CID 82598786
3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride
CID 155822296
(6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)methanamine
CID 156818619
4-(11,13-diamino-4,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaen-4-yl)benzoic acid
CID 10471361
2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 151808878
7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
CID 173071265
4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 2325122
1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
CID 14672625
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067
6-phenyl-7,8-dihydro-5H-1,6-naphthyridine-2,3-diamine
CID 171842660

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The IUPAC name of 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile (CID 54369933) is 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile.
What is the SMILES notation for 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The canonical SMILES for 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is N#Cc1c(N)ncc2c1CN(c1ccccc1)C2.
What is the InChIKey of 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
The InChIKey is USLHACQESYJKKQ-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/h1-5,7H,8-9H2,(H2,16,17).
What are the key properties of 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile?
6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile is sourced from PubChem (CID 54369933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).