1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide

C12H9BrN4O — CID 68716143

IUPAC1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide
SMILESNC(=O)c1cc2[nH]c3ccc(Br)cc3c2c(N)n1
InChIInChI=1S/C12H9BrN4O/c13-5-1-2-7-6(3-5)10-8(16-7)4-9(12(15)18)17-11(10)14/h1-4,16H,(H2,14,17)(H2,15,18)
InChIKeyPEVKGLWILMCVQZ-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.16
Rot. Bonds1

About 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide

1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide (PubChem CID 68716143) has the molecular formula C12H9BrN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide
PubChem CID68716143
Molecular FormulaC12H9BrN4O
Molecular Weight305.14 g/mol
Exact Mass304.00
IUPAC Name1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide
SMILESNC(=O)c1cc2[nH]c3ccc(Br)cc3c2c(N)n1
InChIInChI=1S/C12H9BrN4O/c13-5-1-2-7-6(3-5)10-8(16-7)4-9(12(15)18)17-11(10)14/h1-4,16H,(H2,14,17)(H2,15,18)
InChIKeyPEVKGLWILMCVQZ-UHFFFAOYSA-N
XLogP2.16
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide?
The IUPAC name of 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide (CID 68716143) is 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide.
What is the SMILES notation for 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide?
The canonical SMILES for 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide is NC(=O)c1cc2[nH]c3ccc(Br)cc3c2c(N)n1.
What is the InChIKey of 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide?
The InChIKey is PEVKGLWILMCVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c13-5-1-2-7-6(3-5)10-8(16-7)4-9(12(15)18)17-11(10)14/h1-4,16H,(H2,14,17)(H2,15,18).
What are the key properties of 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide?
1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide has a molecular weight of 305.14 g/mol, XLogP of 2.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide is sourced from PubChem (CID 68716143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).