8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

C20H25FN4O — CID 23582762

IUPAC8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCCCCCCCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C20H25FN4O/c1-2-3-4-5-6-7-10-23-20-17-14-11-13(21)8-9-16(14)25-18(17)15(12-24-20)19(22)26/h8-9,11-12,25H,2-7,10H2,1H3,(H2,22,26)(H,23,24)
InChIKeyNYWVHOOSOVUOCH-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.73
Rot. Bonds9

About 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582762) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582762
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCCCCCCCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C20H25FN4O/c1-2-3-4-5-6-7-10-23-20-17-14-11-13(21)8-9-16(14)25-18(17)15(12-24-20)19(22)26/h8-9,11-12,25H,2-7,10H2,1H3,(H2,22,26)(H,23,24)
InChIKeyNYWVHOOSOVUOCH-UHFFFAOYSA-N
XLogP4.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582762) is 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is CCCCCCCCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12.
What is the InChIKey of 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is NYWVHOOSOVUOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-2-3-4-5-6-7-10-23-20-17-14-11-13(21)8-9-16(14)25-18(17)15(12-24-20)19(22)26/h8-9,11-12,25H,2-7,10H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.73, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).