N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide

C14H10BrN3O — CID 103789422

IUPACN-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H10BrN3O/c15-13-6-5-10(8-16-13)17-14(19)12-7-9-3-1-2-4-11(9)18-12/h1-8,18H,(H,17,19)
InChIKeyNORUPAQRYSLDNW-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.58
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide

N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide (PubChem CID 103789422) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
PubChem CID103789422
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC NameN-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H10BrN3O/c15-13-6-5-10(8-16-13)17-14(19)12-7-9-3-1-2-4-11(9)18-12/h1-8,18H,(H,17,19)
InChIKeyNORUPAQRYSLDNW-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60784651
N-(4-bromo-2-pyridinyl)-1H-indole-2-carboxamide
CID 102674192
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 43422742
N-(6-bromo-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 103789326
2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
CID 43823296
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
CID 43823307
N-(5-bromo-6-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79049257
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453
N-(5-bromo-2,4-difluorophenyl)-1H-indole-2-carboxamide
CID 102854713

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide (CID 103789422) is N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide is O=C(Nc1ccc(Br)nc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide?
The InChIKey is NORUPAQRYSLDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-13-6-5-10(8-16-13)17-14(19)12-7-9-3-1-2-4-11(9)18-12/h1-8,18H,(H,17,19).
What are the key properties of N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide?
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide has a molecular weight of 316.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 103789422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).