8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

C15H16FN3O — CID 2802374

IUPAC8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESC=CCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C15H16FN3O/c1-2-6-17-15(20)19-7-5-14-12(9-19)11-8-10(16)3-4-13(11)18-14/h2-4,8,18H,1,5-7,9H2,(H,17,20)
InChIKeyRXSSNHNJJJGLRO-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.56
Rot. Bonds2

About 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (PubChem CID 2802374) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
PubChem CID2802374
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESC=CCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C15H16FN3O/c1-2-6-17-15(20)19-7-5-14-12(9-19)11-8-10(16)3-4-13(11)18-14/h2-4,8,18H,1,5-7,9H2,(H,17,20)
InChIKeyRXSSNHNJJJGLRO-UHFFFAOYSA-N
XLogP2.56
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (CID 2802374) is 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is C=CCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The InChIKey is RXSSNHNJJJGLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-6-17-15(20)19-7-5-14-12(9-19)11-8-10(16)3-4-13(11)18-14/h2-4,8,18H,1,5-7,9H2,(H,17,20).
What are the key properties of 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 2802374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).