4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride

C14H22Cl2N4O2 — CID 120596757

IUPAC4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1cn2cccc(C)c2n1.Cl.Cl
InChIInChI=1S/C14H20N4O2.2ClH/c1-10-4-3-5-18-9-11(17-14(10)18)8-16-13(19)6-12(7-15)20-2;;/h3-5,9,12H,6-8,15H2,1-2H3,(H,16,19);2*1H
InChIKeyXTRXXWHOJPKGCV-UHFFFAOYSA-N
MW349.26 g/mol
LogP1.47
Rot. Bonds6

About 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride (PubChem CID 120596757) has the molecular formula C14H22Cl2N4O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
PubChem CID120596757
Molecular FormulaC14H22Cl2N4O2
Molecular Weight349.26 g/mol
Exact Mass348.11
IUPAC Name4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1cn2cccc(C)c2n1.Cl.Cl
InChIInChI=1S/C14H20N4O2.2ClH/c1-10-4-3-5-18-9-11(17-14(10)18)8-16-13(19)6-12(7-15)20-2;;/h3-5,9,12H,6-8,15H2,1-2H3,(H,16,19);2*1H
InChIKeyXTRXXWHOJPKGCV-UHFFFAOYSA-N
XLogP1.47
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882794
4-(methylamino)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 119882755
(2R)-2-amino-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 119882775
4-amino-3-methoxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide
CID 120596760
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide;dihydrochloride
CID 119882780
4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 120588959
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanecarboxamide
CID 3244515
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
CID 118779889
N-[(2S)-1-aminopropan-2-yl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 120509223
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine
CID 66220095
(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]propanoic acid
CID 104876154

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride (CID 120596757) is 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride is COC(CN)CC(=O)NCc1cn2cccc(C)c2n1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
The InChIKey is XTRXXWHOJPKGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.2ClH/c1-10-4-3-5-18-9-11(17-14(10)18)8-16-13(19)6-12(7-15)20-2;;/h3-5,9,12H,6-8,15H2,1-2H3,(H,16,19);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride has a molecular weight of 349.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 120596757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).