N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine

C14H14FN3 — CID 71059754

IUPACN-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine
SMILESFCCCNc1ccc2c(c1)[nH]c1cccnc12
InChIInChI=1S/C14H14FN3/c15-6-2-8-16-10-4-5-11-13(9-10)18-12-3-1-7-17-14(11)12/h1,3-5,7,9,16,18H,2,6,8H2
InChIKeyXZWVFGCQAWNKBQ-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.49
Rot. Bonds4

About N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine

N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine (PubChem CID 71059754) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine
PubChem CID71059754
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC NameN-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine
SMILESFCCCNc1ccc2c(c1)[nH]c1cccnc12
InChIInChI=1S/C14H14FN3/c15-6-2-8-16-10-4-5-11-13(9-10)18-12-3-1-7-17-14(11)12/h1,3-5,7,9,16,18H,2,6,8H2
InChIKeyXZWVFGCQAWNKBQ-UHFFFAOYSA-N
XLogP3.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5H-pyrido[3,2-b]indole-7-carbonitrile
CID 91665984
7-(3H-benzimidazol-5-yl)-5H-pyrido[3,2-b]indole
CID 155384571
3,4-dichloro-N-(3-fluoropropyl)aniline
CID 81106053
5H-pyrido[3,2-b]indol-8-ol
CID 10511693
12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene
CID 144569289
4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135
N'-(8-ethyl-9H-carbazol-2-yl)propane-1,3-diamine
CID 117097320
6-(3-aminopropylamino)-1,2-dihydroindazol-3-one
CID 58936020
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
N-(9H-carbazol-2-yl)pyridine-2-carboxamide
CID 66605805
N-(9H-carbazol-2-yl)-2-pyridin-2-ylacetamide
CID 91043335
N-(9H-carbazol-2-yl)-2-pyridin-4-ylacetamide
CID 91025258

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine?
The IUPAC name of N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine (CID 71059754) is N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine.
What is the SMILES notation for N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine?
The canonical SMILES for N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine is FCCCNc1ccc2c(c1)[nH]c1cccnc12.
What is the InChIKey of N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine?
The InChIKey is XZWVFGCQAWNKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c15-6-2-8-16-10-4-5-11-13(9-10)18-12-3-1-7-17-14(11)12/h1,3-5,7,9,16,18H,2,6,8H2.
What are the key properties of N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine?
N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine has a molecular weight of 243.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-5H-pyrido[3,2-b]indol-7-amine is sourced from PubChem (CID 71059754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).