N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide

C14H18BrN3O — CID 47354795

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C14H18BrN3O/c1-3-10(4-2)14(19)16-7-12-9-18-8-11(15)5-6-13(18)17-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyFIYIPHRVHNTOFN-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.15
Rot. Bonds5

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide (PubChem CID 47354795) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide
PubChem CID47354795
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C14H18BrN3O/c1-3-10(4-2)14(19)16-7-12-9-18-8-11(15)5-6-13(18)17-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyFIYIPHRVHNTOFN-UHFFFAOYSA-N
XLogP3.15
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide (CID 47354795) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide?
The InChIKey is FIYIPHRVHNTOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-10(4-2)14(19)16-7-12-9-18-8-11(15)5-6-13(18)17-12/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,19).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide has a molecular weight of 324.22 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 47354795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).