4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide

C26H25N3O3 — CID 56537727

IUPAC4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1
InChIInChI=1S/C26H25N3O3/c1-2-19-9-11-20(12-10-19)24(30)13-14-26(31)28-21-6-5-7-23(16-21)32-18-22-17-29-15-4-3-8-25(29)27-22/h3-12,15-17H,2,13-14,18H2,1H3,(H,28,31)
InChIKeyWERMRAWBSSIRLV-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.08
Rot. Bonds9

About 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide

4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide (PubChem CID 56537727) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
PubChem CID56537727
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1
InChIInChI=1S/C26H25N3O3/c1-2-19-9-11-20(12-10-19)24(30)13-14-26(31)28-21-6-5-7-23(16-21)32-18-22-17-29-15-4-3-8-25(29)27-22/h3-12,15-17H,2,13-14,18H2,1H3,(H,28,31)
InChIKeyWERMRAWBSSIRLV-UHFFFAOYSA-N
XLogP5.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56582359
4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582393
4-(diethylaminomethyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530632
4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582434
N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 56537785
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
CID 56582654
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56584450
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 56530937
3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 56530513

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide (CID 56537727) is 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide?
The InChIKey is WERMRAWBSSIRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-2-19-9-11-20(12-10-19)24(30)13-14-26(31)28-21-6-5-7-23(16-21)32-18-22-17-29-15-4-3-8-25(29)27-22/h3-12,15-17H,2,13-14,18H2,1H3,(H,28,31).
What are the key properties of 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide?
4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide has a molecular weight of 427.50 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide is sourced from PubChem (CID 56537727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).