N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide

C12H17BrN2O3 — CID 71856485

IUPACN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide
SMILESCCCCOCC(=O)Nc1cc(Br)c(=O)n(C)c1
InChIInChI=1S/C12H17BrN2O3/c1-3-4-5-18-8-11(16)14-9-6-10(13)12(17)15(2)7-9/h6-7H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyLVXZOHBVWUVIEF-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.90
Rot. Bonds6

About N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide (PubChem CID 71856485) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide
PubChem CID71856485
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide
SMILESCCCCOCC(=O)Nc1cc(Br)c(=O)n(C)c1
InChIInChI=1S/C12H17BrN2O3/c1-3-4-5-18-8-11(16)14-9-6-10(13)12(17)15(2)7-9/h6-7H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyLVXZOHBVWUVIEF-UHFFFAOYSA-N
XLogP1.90
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119821002
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride
CID 119344889
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide
CID 166199017
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide
CID 119821015
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
CID 43376800
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555533
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675
N-(4-cyanophenyl)-2-hexoxyacetamide
CID 29001744
N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide
CID 61171662
N-(3-cyanophenyl)-2-hexoxyacetamide
CID 29001724
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide?
The IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide (CID 71856485) is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide.
What is the SMILES notation for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide?
The canonical SMILES for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide is CCCCOCC(=O)Nc1cc(Br)c(=O)n(C)c1.
What is the InChIKey of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide?
The InChIKey is LVXZOHBVWUVIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-3-4-5-18-8-11(16)14-9-6-10(13)12(17)15(2)7-9/h6-7H,3-5,8H2,1-2H3,(H,14,16).
What are the key properties of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide?
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide has a molecular weight of 317.18 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide is sourced from PubChem (CID 71856485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).