2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide

C12H16BrN3O2 — CID 104505835

IUPAC2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide
SMILESCc1c(N)cn(CC(=O)NCC2CC2)c(=O)c1Br
InChIInChI=1S/C12H16BrN3O2/c1-7-9(14)5-16(12(18)11(7)13)6-10(17)15-4-8-2-3-8/h5,8H,2-4,6,14H2,1H3,(H,15,17)
InChIKeyYMNDARKPLRSTGW-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.03
Rot. Bonds4

About 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide

2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide (PubChem CID 104505835) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide
PubChem CID104505835
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide
SMILESCc1c(N)cn(CC(=O)NCC2CC2)c(=O)c1Br
InChIInChI=1S/C12H16BrN3O2/c1-7-9(14)5-16(12(18)11(7)13)6-10(17)15-4-8-2-3-8/h5,8H,2-4,6,14H2,1H3,(H,15,17)
InChIKeyYMNDARKPLRSTGW-UHFFFAOYSA-N
XLogP1.03
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide (CID 104505835) is 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide is Cc1c(N)cn(CC(=O)NCC2CC2)c(=O)c1Br.
What is the InChIKey of 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is YMNDARKPLRSTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-7-9(14)5-16(12(18)11(7)13)6-10(17)15-4-8-2-3-8/h5,8H,2-4,6,14H2,1H3,(H,15,17).
What are the key properties of 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide?
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 314.18 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 104505835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).