N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide

C12H11BrN2O2 — CID 52545411

IUPACN-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H11BrN2O2/c13-9-3-5-11(14-8-9)15-12(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,14,15,16)
InChIKeyNMHSTPZCDXUIRH-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.01
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide

N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide (PubChem CID 52545411) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide
PubChem CID52545411
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H11BrN2O2/c13-9-3-5-11(14-8-9)15-12(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,14,15,16)
InChIKeyNMHSTPZCDXUIRH-UHFFFAOYSA-N
XLogP3.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide (CID 52545411) is N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide?
The InChIKey is NMHSTPZCDXUIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-9-3-5-11(14-8-9)15-12(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,14,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide?
N-(5-bromo-2-pyridinyl)-3-(furan-2-yl)propanamide has a molecular weight of 295.14 g/mol, XLogP of 3.01, 4 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)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 52545411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).