N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

C26H26N4O3 — CID 86894155

IUPACN-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C26H26N4O3/c1-18(2)24(29-25(31)19-8-4-3-5-9-19)26(32)28-20-11-13-22(14-12-20)33-17-21-16-30-15-7-6-10-23(30)27-21/h3-16,18,24H,17H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyXPTOGKAIBVOCPQ-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.31
Rot. Bonds8

About N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 86894155) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID86894155
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C26H26N4O3/c1-18(2)24(29-25(31)19-8-4-3-5-9-19)26(32)28-20-11-13-22(14-12-20)33-17-21-16-30-15-7-6-10-23(30)27-21/h3-16,18,24H,17H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyXPTOGKAIBVOCPQ-UHFFFAOYSA-N
XLogP4.31
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 119360221
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 27861009
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-prop-2-enylbenzamide
CID 9400053
4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 25350163
N-(3,5-difluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 25406496
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 40723689
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 25492533
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 40920170
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582393

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 86894155) is N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1.
What is the InChIKey of N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is XPTOGKAIBVOCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-18(2)24(29-25(31)19-8-4-3-5-9-19)26(32)28-20-11-13-22(14-12-20)33-17-21-16-30-15-7-6-10-23(30)27-21/h3-16,18,24H,17H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 86894155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).