N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

C16H14BrN3O2 — CID 20906112

IUPACN-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cn1)N1Cc2ccccc2C1=O
InChIInChI=1S/C16H14BrN3O2/c1-10(15(21)19-14-7-6-12(17)8-18-14)20-9-11-4-2-3-5-13(11)16(20)22/h2-8,10H,9H2,1H3,(H,18,19,21)
InChIKeySMFRSMHOZJZCFK-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.83
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 20906112) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID20906112
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cn1)N1Cc2ccccc2C1=O
InChIInChI=1S/C16H14BrN3O2/c1-10(15(21)19-14-7-6-12(17)8-18-14)20-9-11-4-2-3-5-13(11)16(20)22/h2-8,10H,9H2,1H3,(H,18,19,21)
InChIKeySMFRSMHOZJZCFK-UHFFFAOYSA-N
XLogP2.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(5-bromo-2-pyridinyl)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92690930
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide
CID 138020096
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
(2S)-N-(5-methyl-2-pyridinyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688754
(2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 97265807
(3S)-3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92723099
2-(4-hydroxy-3-oxobutan-2-yl)-3H-isoindol-1-one
CID 123571476
2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
CID 45147944
4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498673
(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 96510144

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 20906112) is N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is CC(C(=O)Nc1ccc(Br)cn1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is SMFRSMHOZJZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-10(15(21)19-14-7-6-12(17)8-18-14)20-9-11-4-2-3-5-13(11)16(20)22/h2-8,10H,9H2,1H3,(H,18,19,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 360.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 20906112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).