N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide

C21H23ClN4O2 — CID 59175341

IUPACN-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide
SMILESCCC(=O)NCC(C)(C)c1ccc(C(=O)Nc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C21H23ClN4O2/c1-4-19(27)23-13-21(2,3)15-7-5-14(6-8-15)20(28)25-17-12-26-11-16(22)9-10-18(26)24-17/h5-12H,4,13H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyOXUDKPSZZCWNEZ-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.04
Rot. Bonds6

About N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide

N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide (PubChem CID 59175341) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide
PubChem CID59175341
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide
SMILESCCC(=O)NCC(C)(C)c1ccc(C(=O)Nc2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C21H23ClN4O2/c1-4-19(27)23-13-21(2,3)15-7-5-14(6-8-15)20(28)25-17-12-26-11-16(22)9-10-18(26)24-17/h5-12H,4,13H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyOXUDKPSZZCWNEZ-UHFFFAOYSA-N
XLogP4.04
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-chloroimidazo[1,2-a]pyridin-2-yl)benzamide
CID 68661308
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[(1Z)-1-hydrazinyl-1-hydrazinylidene-2-methylpropan-2-yl]benzamide
CID 143620247
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propylamino)propan-2-yl]benzamide
CID 59175461
4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175307
methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate
CID 59175639
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[1-(methanesulfonamido)-2-methylpropan-2-yl]benzamide
CID 59175320
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175581
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide?
The IUPAC name of N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide (CID 59175341) is N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide.
What is the SMILES notation for N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide?
The canonical SMILES for N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide is CCC(=O)NCC(C)(C)c1ccc(C(=O)Nc2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide?
The InChIKey is OXUDKPSZZCWNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-4-19(27)23-13-21(2,3)15-7-5-14(6-8-15)20(28)25-17-12-26-11-16(22)9-10-18(26)24-17/h5-12H,4,13H2,1-3H3,(H,23,27)(H,25,28).
What are the key properties of N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide?
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide has a molecular weight of 398.89 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide is sourced from PubChem (CID 59175341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).