N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine

C17H12N4O2 — CID 50924500

IUPACN-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C17H12N4O2/c22-21(23)12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10H,(H2,18,19,20)
InChIKeyNSTVFNSHCSHEMC-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.37
Rot. Bonds3

About N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine

N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine (PubChem CID 50924500) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine.

Molecular Properties

Compound NameN-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine
PubChem CID50924500
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine
SMILESO=[N+]([O-])c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C17H12N4O2/c22-21(23)12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10H,(H2,18,19,20)
InChIKeyNSTVFNSHCSHEMC-UHFFFAOYSA-N
XLogP4.37
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine?
The IUPAC name of N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine (CID 50924500) is N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine.
What is the SMILES notation for N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine?
The canonical SMILES for N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine is O=[N+]([O-])c1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1.
What is the InChIKey of N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine?
The InChIKey is NSTVFNSHCSHEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-21(23)12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10H,(H2,18,19,20).
What are the key properties of N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine?
N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine has a molecular weight of 304.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine is sourced from PubChem (CID 50924500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).