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

C14H12BrN3O — CID 80567176

IUPACN-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1ncccc1Br)C1CNc2ccccc21
InChIInChI=1S/C14H12BrN3O/c15-11-5-3-7-16-13(11)18-14(19)10-8-17-12-6-2-1-4-9(10)12/h1-7,10,17H,8H2,(H,16,18,19)
InChIKeyGVMNRIICJORRDD-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.99
Rot. Bonds2

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

N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80567176) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80567176
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC NameN-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1ncccc1Br)C1CNc2ccccc21
InChIInChI=1S/C14H12BrN3O/c15-11-5-3-7-16-13(11)18-14(19)10-8-17-12-6-2-1-4-9(10)12/h1-7,10,17H,8H2,(H,16,18,19)
InChIKeyGVMNRIICJORRDD-UHFFFAOYSA-N
XLogP2.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 114387742
N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 107588629
N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107611758
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107625638
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
N-(4-bromo-2-chlorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565893
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566319
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564594
N-(6-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566104
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80567176) is N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(Nc1ncccc1Br)C1CNc2ccccc21.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is GVMNRIICJORRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-11-5-3-7-16-13(11)18-14(19)10-8-17-12-6-2-1-4-9(10)12/h1-7,10,17H,8H2,(H,16,18,19).
What are the key properties of N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 318.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80567176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).