N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride

C22H30Cl2N4O2 — CID 119598984

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(OCc2cn3ccccc3n2)c1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-16(2)12-22(3,15-23)25-21(27)17-7-6-8-19(11-17)28-14-18-13-26-10-5-4-9-20(26)24-18;;/h4-11,13,16H,12,14-15,23H2,1-3H3,(H,25,27);2*1H
InChIKeyWRUCJSBAZWMQFX-UHFFFAOYSA-N
MW453.41 g/mol
LogP4.25
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride (PubChem CID 119598984) has the molecular formula C22H30Cl2N4O2 and a molecular weight of 453.41 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
PubChem CID119598984
Molecular FormulaC22H30Cl2N4O2
Molecular Weight453.41 g/mol
Exact Mass452.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(OCc2cn3ccccc3n2)c1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-16(2)12-22(3,15-23)25-21(27)17-7-6-8-19(11-17)28-14-18-13-26-10-5-4-9-20(26)24-18;;/h4-11,13,16H,12,14-15,23H2,1-3H3,(H,25,27);2*1H
InChIKeyWRUCJSBAZWMQFX-UHFFFAOYSA-N
XLogP4.25
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride with MolForge

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 119360221
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 30582719
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 51111213
N-[2-(aminomethyl)cyclopentyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 119603057
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride (CID 119598984) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride is CC(C)CC(C)(CN)NC(=O)c1cccc(OCc2cn3ccccc3n2)c1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?
The InChIKey is WRUCJSBAZWMQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.2ClH/c1-16(2)12-22(3,15-23)25-21(27)17-7-6-8-19(11-17)28-14-18-13-26-10-5-4-9-20(26)24-18;;/h4-11,13,16H,12,14-15,23H2,1-3H3,(H,25,27);2*1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride has a molecular weight of 453.41 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride is sourced from PubChem (CID 119598984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).