6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide

C21H16BrN3O2 — CID 147914533

IUPAC6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2c1CC(NC(=O)c1ccc(Br)nc1)=N2
InChIInChI=1S/C21H16BrN3O2/c1-27-17-9-8-15(13-5-3-2-4-6-13)20-16(17)11-19(24-20)25-21(26)14-7-10-18(22)23-12-14/h2-10,12H,11H2,1H3,(H,24,25,26)
InChIKeyIGUOPWLXYLXHHG-UHFFFAOYSA-N
MW422.28 g/mol
LogP4.54
Rot. Bonds3

About 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide

6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide (PubChem CID 147914533) has the molecular formula C21H16BrN3O2 and a molecular weight of 422.28 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide
PubChem CID147914533
Molecular FormulaC21H16BrN3O2
Molecular Weight422.28 g/mol
Exact Mass421.04
IUPAC Name6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccccc2)c2c1CC(NC(=O)c1ccc(Br)nc1)=N2
InChIInChI=1S/C21H16BrN3O2/c1-27-17-9-8-15(13-5-3-2-4-6-13)20-16(17)11-19(24-20)25-21(26)14-7-10-18(22)23-12-14/h2-10,12H,11H2,1H3,(H,24,25,26)
InChIKeyIGUOPWLXYLXHHG-UHFFFAOYSA-N
XLogP4.54
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 147014443
N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide
CID 159978643
6-bromo-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 66465082
1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 149019221
3-[(6-bromopyridine-3-carbonyl)-tert-butylamino]propanoic acid
CID 66464230
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
S-methyl 3-methoxy-4-phenylbenzenecarbothioate
CID 19934709
6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 79946333
N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
CID 89461171
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide (CID 147914533) is 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide is COc1ccc(-c2ccccc2)c2c1CC(NC(=O)c1ccc(Br)nc1)=N2.
What is the InChIKey of 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide?
The InChIKey is IGUOPWLXYLXHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O2/c1-27-17-9-8-15(13-5-3-2-4-6-13)20-16(17)11-19(24-20)25-21(26)14-7-10-18(22)23-12-14/h2-10,12H,11H2,1H3,(H,24,25,26).
What are the key properties of 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide?
6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide has a molecular weight of 422.28 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 147914533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).