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

C19H17N5 — CID 78323988

IUPAC2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C19H17N5/c20-19(21)23-11-12-4-3-5-13(10-12)14-8-9-22-18-17(14)15-6-1-2-7-16(15)24-18/h1-10H,11H2,(H,22,24)(H4,20,21,23)
InChIKeyYIMBXOSMEWTNMI-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.16
Rot. Bonds3

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

2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine (PubChem CID 78323988) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine
PubChem CID78323988
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C19H17N5/c20-19(21)23-11-12-4-3-5-13(10-12)14-8-9-22-18-17(14)15-6-1-2-7-16(15)24-18/h1-10H,11H2,(H,22,24)(H4,20,21,23)
InChIKeyYIMBXOSMEWTNMI-UHFFFAOYSA-N
XLogP3.16
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.16
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]methyl]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]methyl]guanidine?
The IUPAC name of 2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine (CID 78323988) is 2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine?
The canonical SMILES for 2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine is NC(N)=NCc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1.
What is the InChIKey of 2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine?
The InChIKey is YIMBXOSMEWTNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-19(21)23-11-12-4-3-5-13(10-12)14-8-9-22-18-17(14)15-6-1-2-7-16(15)24-18/h1-10H,11H2,(H,22,24)(H4,20,21,23).
What are the key properties of 2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine?
2-[[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methyl]guanidine has a molecular weight of 315.38 g/mol, XLogP of 3.16, 3 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]methyl]guanidine is sourced from PubChem (CID 78323988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).