9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine

C25H30N4 — CID 154704000

IUPAC9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine
SMILESNCCCCCCCCCn1c2ccccc2c2ccnc(-c3ccccn3)c21
InChIInChI=1S/C25H30N4/c26-16-9-4-2-1-3-5-11-19-29-23-14-7-6-12-20(23)21-15-18-28-24(25(21)29)22-13-8-10-17-27-22/h6-8,10,12-15,17-18H,1-5,9,11,16,19,26H2
InChIKeyPRRAXAPXCYZACN-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.94
Rot. Bonds10

About 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine

9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine (PubChem CID 154704000) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine.

Molecular Properties

Compound Name9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine
PubChem CID154704000
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine
SMILESNCCCCCCCCCn1c2ccccc2c2ccnc(-c3ccccn3)c21
InChIInChI=1S/C25H30N4/c26-16-9-4-2-1-3-5-11-19-29-23-14-7-6-12-20(23)21-15-18-28-24(25(21)29)22-13-8-10-17-27-22/h6-8,10,12-15,17-18H,1-5,9,11,16,19,26H2
InChIKeyPRRAXAPXCYZACN-UHFFFAOYSA-N
XLogP5.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
1-thiophen-3-yl-9-[6-(1-thiophen-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539239
1-(2-methylthiophen-3-yl)-9-[6-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]hexyl]pyrido[3,4-b]indole
CID 71539198
1-(6-methyl-3-pyridinyl)-9-[12-[1-(6-methyl-3-pyridinyl)pyrido[3,4-b]indol-9-yl]dodecyl]pyrido[3,4-b]indole
CID 71539238
9-hexylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373632
1-(2-methylthiophen-3-yl)-9-[2-[1-(2-methylthiophen-3-yl)pyrido[3,4-b]indol-9-yl]ethyl]pyrido[3,4-b]indole
CID 135188406
1-N'-(9-butylpyrido[3,4-b]indol-1-yl)ethane-1,1-diamine
CID 141187470
9-butyl-N-methylpyrido[3,4-b]indol-1-amine
CID 151947082
N,N'-bis[(9-octylpyrido[3,4-b]indol-1-yl)methyl]butane-1,4-diamine;hydrochloride
CID 134130590
9-(6-chlorohexyl)carbazole
CID 63465812
N'-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]butane-1,4-diamine
CID 143870639
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282

Frequently Asked Questions

What is the IUPAC name of 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine?
The IUPAC name of 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine (CID 154704000) is 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine.
What is the SMILES notation for 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine?
The canonical SMILES for 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine is NCCCCCCCCCn1c2ccccc2c2ccnc(-c3ccccn3)c21.
What is the InChIKey of 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine?
The InChIKey is PRRAXAPXCYZACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c26-16-9-4-2-1-3-5-11-19-29-23-14-7-6-12-20(23)21-15-18-28-24(25(21)29)22-13-8-10-17-27-22/h6-8,10,12-15,17-18H,1-5,9,11,16,19,26H2.
What are the key properties of 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine?
9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine has a molecular weight of 386.54 g/mol, XLogP of 5.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-pyridin-2-ylpyrido[3,4-b]indol-9-yl)nonan-1-amine is sourced from PubChem (CID 154704000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).