N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride

C21H28Cl2N4O2 — CID 120654182

IUPACN-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-4-22-16(3)11-23-21(26)17-6-5-7-19(10-17)27-14-18-13-25-12-15(2)8-9-20(25)24-18;;/h5-10,12-13,16,22H,4,11,14H2,1-3H3,(H,23,26);2*1H/t16-;;/m1../s1
InChIKeyPZEVQPUKXSCSNF-GGMCWBHBSA-N
MW439.39 g/mol
LogP3.79
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride (PubChem CID 120654182) has the molecular formula C21H28Cl2N4O2 and a molecular weight of 439.39 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
PubChem CID120654182
Molecular FormulaC21H28Cl2N4O2
Molecular Weight439.39 g/mol
Exact Mass438.16
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-4-22-16(3)11-23-21(26)17-6-5-7-19(10-17)27-14-18-13-25-12-15(2)8-9-20(25)24-18;;/h5-10,12-13,16,22H,4,11,14H2,1-3H3,(H,23,26);2*1H/t16-;;/m1../s1
InChIKeyPZEVQPUKXSCSNF-GGMCWBHBSA-N
XLogP3.79
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 51112147
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-propylbenzamide
CID 30661051
N-[(2R)-2-(ethylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 120653338
methyl 2-[[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]acetate
CID 52552732
N-(2-methoxyethyl)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134024136
N-[3-(methylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 119430842
N-[(4-methoxyphenyl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24617007
N-(2,5-dimethylphenyl)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 42063589
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55977651
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(3-methylphenyl)sulfonylbenzamide
CID 112830456
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 56560855

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride (CID 120654182) is N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride is CCN[C@H](C)CNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1.Cl.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride?
The InChIKey is PZEVQPUKXSCSNF-GGMCWBHBSA-N. The full InChI is InChI=1S/C21H26N4O2.2ClH/c1-4-22-16(3)11-23-21(26)17-6-5-7-19(10-17)27-14-18-13-25-12-15(2)8-9-20(25)24-18;;/h5-10,12-13,16,22H,4,11,14H2,1-3H3,(H,23,26);2*1H/t16-;;/m1../s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride has a molecular weight of 439.39 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride is sourced from PubChem (CID 120654182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).