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

C18H19FN4O — CID 23582570

IUPAC1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C18H19FN4O/c19-10-6-7-14-12(8-10)15-16(23-14)13(17(20)24)9-21-18(15)22-11-4-2-1-3-5-11/h6-9,11,23H,1-5H2,(H2,20,24)(H,21,22)
InChIKeyCWIGGEHUYBKCHC-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.70
Rot. Bonds3

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

1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582570) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582570
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C18H19FN4O/c19-10-6-7-14-12(8-10)15-16(23-14)13(17(20)24)9-21-18(15)22-11-4-2-1-3-5-11/h6-9,11,23H,1-5H2,(H2,20,24)(H,21,22)
InChIKeyCWIGGEHUYBKCHC-UHFFFAOYSA-N
XLogP3.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582570) is 1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is CWIGGEHUYBKCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-10-6-7-14-12(8-10)15-16(23-14)13(17(20)24)9-21-18(15)22-11-4-2-1-3-5-11/h6-9,11,23H,1-5H2,(H2,20,24)(H,21,22).
What are the key properties of 1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).