N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide

C15H12BrN3O2 — CID 71921863

IUPACN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide
SMILESCn1cc(NC(=O)c2ccc3[nH]ccc3c2)cc(Br)c1=O
InChIInChI=1S/C15H12BrN3O2/c1-19-8-11(7-12(16)15(19)21)18-14(20)10-2-3-13-9(6-10)4-5-17-13/h2-8,17H,1H3,(H,18,20)
InChIKeyMSUMCKBTNKCTEY-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.88
Rot. Bonds2

About N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide (PubChem CID 71921863) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide
PubChem CID71921863
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide
SMILESCn1cc(NC(=O)c2ccc3[nH]ccc3c2)cc(Br)c1=O
InChIInChI=1S/C15H12BrN3O2/c1-19-8-11(7-12(16)15(19)21)18-14(20)10-2-3-13-9(6-10)4-5-17-13/h2-8,17H,1H3,(H,18,20)
InChIKeyMSUMCKBTNKCTEY-UHFFFAOYSA-N
XLogP2.88
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide
CID 110471413
N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
CID 114840582
N-(3-ethylphenyl)-1H-indole-5-carboxamide
CID 63717864
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide
CID 71921848
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
N-(1H-indol-5-yl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 11559292
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909
3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
CID 75495645
N-(3-ethoxyphenyl)-1H-indole-5-carboxamide
CID 63718266
N-(2-hydroxy-4-methylphenyl)-1H-indole-5-carboxamide
CID 63716979

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide (CID 71921863) is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide is Cn1cc(NC(=O)c2ccc3[nH]ccc3c2)cc(Br)c1=O.
What is the InChIKey of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide?
The InChIKey is MSUMCKBTNKCTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-19-8-11(7-12(16)15(19)21)18-14(20)10-2-3-13-9(6-10)4-5-17-13/h2-8,17H,1H3,(H,18,20).
What are the key properties of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide?
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide has a molecular weight of 346.18 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 71921863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).