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

C14H13FN4O — CID 23582566

IUPAC1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C14H13FN4O/c1-2-17-14-11-8-5-7(15)3-4-10(8)19-12(11)9(6-18-14)13(16)20/h3-6,19H,2H2,1H3,(H2,16,20)(H,17,18)
InChIKeyVYCZGZDYYGZFCM-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.39
Rot. Bonds3

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

1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582566) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582566
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12
InChIInChI=1S/C14H13FN4O/c1-2-17-14-11-8-5-7(15)3-4-10(8)19-12(11)9(6-18-14)13(16)20/h3-6,19H,2H2,1H3,(H2,16,20)(H,17,18)
InChIKeyVYCZGZDYYGZFCM-UHFFFAOYSA-N
XLogP2.39
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582566) is 1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide is CCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12.
What is the InChIKey of 1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is VYCZGZDYYGZFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-2-17-14-11-8-5-7(15)3-4-10(8)19-12(11)9(6-18-14)13(16)20/h3-6,19H,2H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 272.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).