N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide

C13H18BrN3O2 — CID 56823919

IUPACN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H18BrN3O2/c1-9(2)6-13(19)17(3)8-12(18)16-11-5-4-10(14)7-15-11/h4-5,7,9H,6,8H2,1-3H3,(H,15,16,18)
InChIKeyGCFIPFOGXOAACO-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.29
Rot. Bonds5

About N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide

N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide (PubChem CID 56823919) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
PubChem CID56823919
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H18BrN3O2/c1-9(2)6-13(19)17(3)8-12(18)16-11-5-4-10(14)7-15-11/h4-5,7,9H,6,8H2,1-3H3,(H,15,16,18)
InChIKeyGCFIPFOGXOAACO-UHFFFAOYSA-N
XLogP2.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide (CID 56823919) is N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide?
The InChIKey is GCFIPFOGXOAACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-9(2)6-13(19)17(3)8-12(18)16-11-5-4-10(14)7-15-11/h4-5,7,9H,6,8H2,1-3H3,(H,15,16,18).
What are the key properties of N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide?
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide has a molecular weight of 328.21 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 56823919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).