N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

C26H28N4O3 — CID 55527656

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)N(C)C)c1
InChIInChI=1S/C26H28N4O3/c1-29(2)24(19-8-6-10-22(14-19)32-3)16-27-26(31)20-9-7-11-23(15-20)33-18-21-17-30-13-5-4-12-25(30)28-21/h4-15,17,24H,16,18H2,1-3H3,(H,27,31)
InChIKeyWQIMJALERCBNFU-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.95
Rot. Bonds9

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (PubChem CID 55527656) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
PubChem CID55527656
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)N(C)C)c1
InChIInChI=1S/C26H28N4O3/c1-29(2)24(19-8-6-10-22(14-19)32-3)16-27-26(31)20-9-7-11-23(15-20)33-18-21-17-30-13-5-4-12-25(30)28-21/h4-15,17,24H,16,18H2,1-3H3,(H,27,31)
InChIKeyWQIMJALERCBNFU-UHFFFAOYSA-N
XLogP3.95
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55576832
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 30582719
methyl 2-[[3-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]benzoyl]amino]acetate
CID 55848603
N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 51111213
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-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25351615
N-[(2-chlorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542001
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 119360221

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (CID 55527656) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is COc1cccc(C(CNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The InChIKey is WQIMJALERCBNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-29(2)24(19-8-6-10-22(14-19)32-3)16-27-26(31)20-9-7-11-23(15-20)33-18-21-17-30-13-5-4-12-25(30)28-21/h4-15,17,24H,16,18H2,1-3H3,(H,27,31).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 55527656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).