8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

C16H17FN4O — CID 23582639

IUPAC8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCC(C)CNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C16H17FN4O/c1-8(2)6-19-16-13-10-5-9(17)3-4-12(10)21-14(13)11(7-20-16)15(18)22/h3-5,7-8,21H,6H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyUQYAMLLLVAMXSQ-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.02
Rot. Bonds4

About 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582639) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582639
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCC(C)CNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C16H17FN4O/c1-8(2)6-19-16-13-10-5-9(17)3-4-12(10)21-14(13)11(7-20-16)15(18)22/h3-5,7-8,21H,6H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyUQYAMLLLVAMXSQ-UHFFFAOYSA-N
XLogP3.02
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582639) is 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is CC(C)CNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12.
What is the InChIKey of 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is UQYAMLLLVAMXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-8(2)6-19-16-13-10-5-9(17)3-4-12(10)21-14(13)11(7-20-16)15(18)22/h3-5,7-8,21H,6H2,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(2-methylpropylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).