6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide

C15H13BrN4O — CID 79735745

IUPAC6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3cc(N)ccc23)ncc1Br
InChIInChI=1S/C15H13BrN4O/c1-8-4-14(19-7-12(8)16)20-15(21)11-6-18-13-5-9(17)2-3-10(11)13/h2-7,18H,17H2,1H3,(H,19,20,21)
InChIKeyJQTKGLCMWVTXPU-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.47
Rot. Bonds2

About 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide

6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide (PubChem CID 79735745) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide
PubChem CID79735745
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide
SMILESCc1cc(NC(=O)c2c[nH]c3cc(N)ccc23)ncc1Br
InChIInChI=1S/C15H13BrN4O/c1-8-4-14(19-7-12(8)16)20-15(21)11-6-18-13-5-9(17)2-3-10(11)13/h2-7,18H,17H2,1H3,(H,19,20,21)
InChIKeyJQTKGLCMWVTXPU-UHFFFAOYSA-N
XLogP3.47
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(6-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 61095295
6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide
CID 116786077
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79735742
6-amino-N-(2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 79041592
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide
CID 63562915
6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
CID 61092255
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
6-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 106387438
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 61089769

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide (CID 79735745) is 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide is Cc1cc(NC(=O)c2c[nH]c3cc(N)ccc23)ncc1Br.
What is the InChIKey of 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide?
The InChIKey is JQTKGLCMWVTXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-8-4-14(19-7-12(8)16)20-15(21)11-6-18-13-5-9(17)2-3-10(11)13/h2-7,18H,17H2,1H3,(H,19,20,21).
What are the key properties of 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide?
6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 79735745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).