2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide

C13H12BrN3O — CID 142612479

IUPAC2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1cncc(Br)c1)NCc1cccnc1
InChIInChI=1S/C13H12BrN3O/c14-12-4-11(7-16-9-12)5-13(18)17-8-10-2-1-3-15-6-10/h1-4,6-7,9H,5,8H2,(H,17,18)
InChIKeyCUOZUOFVFZJEIF-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.10
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide

2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 142612479) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID142612479
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1cncc(Br)c1)NCc1cccnc1
InChIInChI=1S/C13H12BrN3O/c14-12-4-11(7-16-9-12)5-13(18)17-8-10-2-1-3-15-6-10/h1-4,6-7,9H,5,8H2,(H,17,18)
InChIKeyCUOZUOFVFZJEIF-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 62000615
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51155626
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide (CID 142612479) is 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1cncc(Br)c1)NCc1cccnc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is CUOZUOFVFZJEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-12-4-11(7-16-9-12)5-13(18)17-8-10-2-1-3-15-6-10/h1-4,6-7,9H,5,8H2,(H,17,18).
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide?
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 306.16 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 142612479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).