N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide

C15H13BrN2O — CID 113339578

IUPACN-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1cncc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H13BrN2O/c16-13-7-14(9-17-8-13)18-15(19)12-5-4-10-2-1-3-11(10)6-12/h4-9H,1-3H2,(H,18,19)
InChIKeyAYAMPHPTXRMTFP-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.59
Rot. Bonds2

About N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 113339578) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID113339578
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC NameN-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1cncc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H13BrN2O/c16-13-7-14(9-17-8-13)18-15(19)12-5-4-10-2-1-3-11(10)6-12/h4-9H,1-3H2,(H,18,19)
InChIKeyAYAMPHPTXRMTFP-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide
CID 114222934
N-(5-bromo-3-pyridinyl)-3-methylbenzamide
CID 110869014
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid
CID 166178703
5-(1,3-dihydro-2-benzofuran-5-carbonylamino)pyridine-3-carboxylic acid
CID 63733480
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 113339578) is N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide is O=C(Nc1cncc(Br)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is AYAMPHPTXRMTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-13-7-14(9-17-8-13)18-15(19)12-5-4-10-2-1-3-11(10)6-12/h4-9H,1-3H2,(H,18,19).
What are the key properties of N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 317.19 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 113339578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).