3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride

C12H17BrCl2N4O — CID 119860105

IUPAC3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1cn2cc(Br)ccc2n1.Cl.Cl
InChIInChI=1S/C12H15BrN4O.2ClH/c1-8(14)4-12(18)15-5-10-7-17-6-9(13)2-3-11(17)16-10;;/h2-3,6-8H,4-5,14H2,1H3,(H,15,18);2*1H
InChIKeyNJRUPZQPZDIARQ-UHFFFAOYSA-N
MW384.11 g/mol
LogP2.29
Rot. Bonds4

About 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride

3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride (PubChem CID 119860105) has the molecular formula C12H17BrCl2N4O and a molecular weight of 384.11 g/mol. Its IUPAC name is 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
PubChem CID119860105
Molecular FormulaC12H17BrCl2N4O
Molecular Weight384.11 g/mol
Exact Mass382.00
IUPAC Name3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1cn2cc(Br)ccc2n1.Cl.Cl
InChIInChI=1S/C12H15BrN4O.2ClH/c1-8(14)4-12(18)15-5-10-7-17-6-9(13)2-3-11(17)16-10;;/h2-3,6-8H,4-5,14H2,1H3,(H,15,18);2*1H
InChIKeyNJRUPZQPZDIARQ-UHFFFAOYSA-N
XLogP2.29
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.11
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860099
3-amino-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860092
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82530333
N-(2-aminoethyl)-2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetamide
CID 39161966
(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 94195880
3-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882794
(2R)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-ethoxyethoxy)propanamide
CID 52531312
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55975870
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
CID 55977015
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
(1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 97230453

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride (CID 119860105) is 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride is CC(N)CC(=O)NCc1cn2cc(Br)ccc2n1.Cl.Cl.
What is the InChIKey of 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
The InChIKey is NJRUPZQPZDIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O.2ClH/c1-8(14)4-12(18)15-5-10-7-17-6-9(13)2-3-11(17)16-10;;/h2-3,6-8H,4-5,14H2,1H3,(H,15,18);2*1H.
What are the key properties of 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride has a molecular weight of 384.11 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119860105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).