2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide

C8H10BrN3O — CID 66568573

IUPAC2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide
SMILESNCC(=O)NCc1ccnc(Br)c1
InChIInChI=1S/C8H10BrN3O/c9-7-3-6(1-2-11-7)5-12-8(13)4-10/h1-3H,4-5,10H2,(H,12,13)
InChIKeyGCBOWRVKAXKJJJ-UHFFFAOYSA-N
MW244.09 g/mol
LogP0.42
Rot. Bonds3

About 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide

2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide (PubChem CID 66568573) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide
PubChem CID66568573
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide
SMILESNCC(=O)NCc1ccnc(Br)c1
InChIInChI=1S/C8H10BrN3O/c9-7-3-6(1-2-11-7)5-12-8(13)4-10/h1-3H,4-5,10H2,(H,12,13)
InChIKeyGCBOWRVKAXKJJJ-UHFFFAOYSA-N
XLogP0.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
CID 61401625
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide
CID 170860208
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
2-amino-N-[(4-sulfanylphenyl)methyl]acetamide
CID 134312272
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 81080635
4-[[(2-aminoacetyl)amino]methyl]benzoic acid
CID 25270511
2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide
CID 175634041
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide (CID 66568573) is 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide is NCC(=O)NCc1ccnc(Br)c1.
What is the InChIKey of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide?
The InChIKey is GCBOWRVKAXKJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-7-3-6(1-2-11-7)5-12-8(13)4-10/h1-3H,4-5,10H2,(H,12,13).
What are the key properties of 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide?
2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide has a molecular weight of 244.09 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 66568573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).