N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide

C23H27N3O3 — CID 46948161

IUPACN-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide
SMILESCCc1nc2c(OCC=C(C)C)cccn2c1N(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O3/c1-6-19-22(25(4)23(27)17-9-11-18(28-5)12-10-17)26-14-7-8-20(21(26)24-19)29-15-13-16(2)3/h7-14H,6,15H2,1-5H3
InChIKeyOVTGWGXRVREAOR-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.53
Rot. Bonds7

About N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide

N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide (PubChem CID 46948161) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide
PubChem CID46948161
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide
SMILESCCc1nc2c(OCC=C(C)C)cccn2c1N(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O3/c1-6-19-22(25(4)23(27)17-9-11-18(28-5)12-10-17)26-14-7-8-20(21(26)24-19)29-15-13-16(2)3/h7-14H,6,15H2,1-5H3
InChIKeyOVTGWGXRVREAOR-UHFFFAOYSA-N
XLogP4.53
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Amg 579
CID 59351313
Sch 28080
CID 108137
Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
2-(6-chloro-2-(4-(2-fluoroethoxy)phenyl)imidazo(1,2-a)pyridin-3-yl)-N,N-diethylacetamide
CID 24895169
N-[5-(1,5-dimethylimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25181471
N-(5-(1H-imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 25253556

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide (CID 46948161) is N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide is CCc1nc2c(OCC=C(C)C)cccn2c1N(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide?
The InChIKey is OVTGWGXRVREAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-6-19-22(25(4)23(27)17-9-11-18(28-5)12-10-17)26-14-7-8-20(21(26)24-19)29-15-13-16(2)3/h7-14H,6,15H2,1-5H3.
What are the key properties of N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide?
N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 46948161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).