5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide

C15H13BrN2O — CID 2823446

IUPAC5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1cncc(Br)c1
InChIInChI=1S/C15H13BrN2O/c16-13-5-12(8-17-9-13)15(19)18-14-6-10-3-1-2-4-11(10)7-14/h1-5,8-9,14H,6-7H2,(H,18,19)
InChIKeyGYMDCRHQVFOAAR-UHFFFAOYSA-N
MW317.19 g/mol
LogP2.74
Rot. Bonds2

About 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide

5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide (PubChem CID 2823446) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
PubChem CID2823446
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1cncc(Br)c1
InChIInChI=1S/C15H13BrN2O/c16-13-5-12(8-17-9-13)15(19)18-14-6-10-3-1-2-4-11(10)7-14/h1-5,8-9,14H,6-7H2,(H,18,19)
InChIKeyGYMDCRHQVFOAAR-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 107854915
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95985160
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 107853184
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503
N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxybenzamide
CID 104694737
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide (CID 2823446) is 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide is O=C(NC1Cc2ccccc2C1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide?
The InChIKey is GYMDCRHQVFOAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-13-5-12(8-17-9-13)15(19)18-14-6-10-3-1-2-4-11(10)7-14/h1-5,8-9,14H,6-7H2,(H,18,19).
What are the key properties of 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide?
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide has a molecular weight of 317.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2823446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).