2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide

C24H19N5O — CID 86177233

IUPAC2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccc2[nH]c3c(-c4ccccc4)nccc3c2c1N
InChIInChI=1S/C24H19N5O/c25-17-9-5-4-8-15(17)24(30)29-19-11-10-18-20(21(19)26)16-12-13-27-22(23(16)28-18)14-6-2-1-3-7-14/h1-13,28H,25-26H2,(H,29,30)
InChIKeyURJFPCMTCBCHFF-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.80
Rot. Bonds3

About 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide

2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide (PubChem CID 86177233) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide
PubChem CID86177233
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccc2[nH]c3c(-c4ccccc4)nccc3c2c1N
InChIInChI=1S/C24H19N5O/c25-17-9-5-4-8-15(17)24(30)29-19-11-10-18-20(21(19)26)16-12-13-27-22(23(16)28-18)14-6-2-1-3-7-14/h1-13,28H,25-26H2,(H,29,30)
InChIKeyURJFPCMTCBCHFF-UHFFFAOYSA-N
XLogP4.80
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide?
The IUPAC name of 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide (CID 86177233) is 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide.
What is the SMILES notation for 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide?
The canonical SMILES for 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide is Nc1ccccc1C(=O)Nc1ccc2[nH]c3c(-c4ccccc4)nccc3c2c1N.
What is the InChIKey of 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide?
The InChIKey is URJFPCMTCBCHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c25-17-9-5-4-8-15(17)24(30)29-19-11-10-18-20(21(19)26)16-12-13-27-22(23(16)28-18)14-6-2-1-3-7-14/h1-13,28H,25-26H2,(H,29,30).
What are the key properties of 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide?
2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide has a molecular weight of 393.45 g/mol, XLogP of 4.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-amino-1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide is sourced from PubChem (CID 86177233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).