2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine

C18H15N5 — CID 78323991

IUPAC2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C18H15N5/c19-18(20)22-12-5-3-4-11(10-12)13-8-9-21-17-16(13)14-6-1-2-7-15(14)23-17/h1-10H,(H,21,23)(H4,19,20,22)
InChIKeyBNGOYHGMLMEWGU-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.29
Rot. Bonds2

About 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine

2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine (PubChem CID 78323991) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine.

Molecular Properties

Compound Name2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine
PubChem CID78323991
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine
SMILESNC(N)=Nc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C18H15N5/c19-18(20)22-12-5-3-4-11(10-12)13-8-9-21-17-16(13)14-6-1-2-7-15(14)23-17/h1-10H,(H,21,23)(H4,19,20,22)
InChIKeyBNGOYHGMLMEWGU-UHFFFAOYSA-N
XLogP3.29
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine?
The IUPAC name of 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine (CID 78323991) is 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine.
What is the SMILES notation for 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine?
The canonical SMILES for 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine is NC(N)=Nc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1.
What is the InChIKey of 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine?
The InChIKey is BNGOYHGMLMEWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-18(20)22-12-5-3-4-11(10-12)13-8-9-21-17-16(13)14-6-1-2-7-15(14)23-17/h1-10H,(H,21,23)(H4,19,20,22).
What are the key properties of 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine?
2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine has a molecular weight of 301.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]guanidine is sourced from PubChem (CID 78323991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).