N-propyl-5H-pyrido[4,3-b]indol-1-amine

C14H15N3 — CID 44580437

IUPACN-propyl-5H-pyrido[4,3-b]indol-1-amine
SMILESCCCNc1nccc2[nH]c3ccccc3c12
InChIInChI=1S/C14H15N3/c1-2-8-15-14-13-10-5-3-4-6-11(10)17-12(13)7-9-16-14/h3-7,9,17H,2,8H2,1H3,(H,15,16)
InChIKeyQMHBXWJLIZCXMT-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.54
Rot. Bonds3

About N-propyl-5H-pyrido[4,3-b]indol-1-amine

N-propyl-5H-pyrido[4,3-b]indol-1-amine (PubChem CID 44580437) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-propyl-5H-pyrido[4,3-b]indol-1-amine.

Molecular Properties

Compound NameN-propyl-5H-pyrido[4,3-b]indol-1-amine
PubChem CID44580437
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-propyl-5H-pyrido[4,3-b]indol-1-amine
SMILESCCCNc1nccc2[nH]c3ccccc3c12
InChIInChI=1S/C14H15N3/c1-2-8-15-14-13-10-5-3-4-6-11(10)17-12(13)7-9-16-14/h3-7,9,17H,2,8H2,1H3,(H,15,16)
InChIKeyQMHBXWJLIZCXMT-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-propyl-5H-pyrido[4,3-b]indol-1-amine 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 N-propyl-5H-pyrido[4,3-b]indol-1-amine?
The IUPAC name of N-propyl-5H-pyrido[4,3-b]indol-1-amine (CID 44580437) is N-propyl-5H-pyrido[4,3-b]indol-1-amine.
What is the SMILES notation for N-propyl-5H-pyrido[4,3-b]indol-1-amine?
The canonical SMILES for N-propyl-5H-pyrido[4,3-b]indol-1-amine is CCCNc1nccc2[nH]c3ccccc3c12.
What is the InChIKey of N-propyl-5H-pyrido[4,3-b]indol-1-amine?
The InChIKey is QMHBXWJLIZCXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-8-15-14-13-10-5-3-4-6-11(10)17-12(13)7-9-16-14/h3-7,9,17H,2,8H2,1H3,(H,15,16).
What are the key properties of N-propyl-5H-pyrido[4,3-b]indol-1-amine?
N-propyl-5H-pyrido[4,3-b]indol-1-amine has a molecular weight of 225.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5H-pyrido[4,3-b]indol-1-amine is sourced from PubChem (CID 44580437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).