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

C13H11FN4O — CID 23582563

IUPAC8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C13H11FN4O/c1-16-13-10-7-4-6(14)2-3-9(7)18-11(10)8(5-17-13)12(15)19/h2-5,18H,1H3,(H2,15,19)(H,16,17)
InChIKeyOMHSQXZTZPYFBY-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.00
Rot. Bonds2

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

8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582563) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582563
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C13H11FN4O/c1-16-13-10-7-4-6(14)2-3-9(7)18-11(10)8(5-17-13)12(15)19/h2-5,18H,1H3,(H2,15,19)(H,16,17)
InChIKeyOMHSQXZTZPYFBY-UHFFFAOYSA-N
XLogP2.00
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582563) is 8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is CNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12.
What is the InChIKey of 8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is OMHSQXZTZPYFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-16-13-10-7-4-6(14)2-3-9(7)18-11(10)8(5-17-13)12(15)19/h2-5,18H,1H3,(H2,15,19)(H,16,17).
What are the key properties of 8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 258.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(methylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).