N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide

C16H15BrN2O — CID 135071582

IUPACN-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCN(C(=O)C1CCc2ccccc21)c1ccncc1Br
InChIInChI=1S/C16H15BrN2O/c1-19(15-8-9-18-10-14(15)17)16(20)13-7-6-11-4-2-3-5-12(11)13/h2-5,8-10,13H,6-7H2,1H3
InChIKeyJZGUTWMYLQYSFE-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.54
Rot. Bonds2

About N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide

N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135071582) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135071582
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCN(C(=O)C1CCc2ccccc21)c1ccncc1Br
InChIInChI=1S/C16H15BrN2O/c1-19(15-8-9-18-10-14(15)17)16(20)13-7-6-11-4-2-3-5-12(11)13/h2-5,8-10,13H,6-7H2,1H3
InChIKeyJZGUTWMYLQYSFE-UHFFFAOYSA-N
XLogP3.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135071582) is N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide is CN(C(=O)C1CCc2ccccc21)c1ccncc1Br.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is JZGUTWMYLQYSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-19(15-8-9-18-10-14(15)17)16(20)13-7-6-11-4-2-3-5-12(11)13/h2-5,8-10,13H,6-7H2,1H3.
What are the key properties of N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide?
N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135071582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).