N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide

C13H12BrN3O — CID 71980572

IUPACN-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)Nc1ncccc1Br
InChIInChI=1S/C13H12BrN3O/c14-11-2-1-7-16-13(11)17-12(18)4-3-10-5-8-15-9-6-10/h1-2,5-9H,3-4H2,(H,16,17,18)
InChIKeyIUGXQPXTSDIKGH-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.81
Rot. Bonds4

About N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide

N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide (PubChem CID 71980572) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide
PubChem CID71980572
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)Nc1ncccc1Br
InChIInChI=1S/C13H12BrN3O/c14-11-2-1-7-16-13(11)17-12(18)4-3-10-5-8-15-9-6-10/h1-2,5-9H,3-4H2,(H,16,17,18)
InChIKeyIUGXQPXTSDIKGH-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide (CID 71980572) is N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)Nc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide?
The InChIKey is IUGXQPXTSDIKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-11-2-1-7-16-13(11)17-12(18)4-3-10-5-8-15-9-6-10/h1-2,5-9H,3-4H2,(H,16,17,18).
What are the key properties of N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide?
N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide has a molecular weight of 306.16 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 71980572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).