4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide

C20H19IN4O — CID 59175307

IUPAC4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide
SMILESCC(C)(CCC#N)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cc1
InChIInChI=1S/C20H19IN4O/c1-20(2,10-3-11-22)15-6-4-14(5-7-15)19(26)24-17-13-25-12-16(21)8-9-18(25)23-17/h4-9,12-13H,3,10H2,1-2H3,(H,24,26)
InChIKeyHSOHHAANNUTZPW-UHFFFAOYSA-N
MW458.30 g/mol
LogP4.77
Rot. Bonds5

About 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide

4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide (PubChem CID 59175307) has the molecular formula C20H19IN4O and a molecular weight of 458.30 g/mol. Its IUPAC name is 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide
PubChem CID59175307
Molecular FormulaC20H19IN4O
Molecular Weight458.30 g/mol
Exact Mass458.06
IUPAC Name4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide
SMILESCC(C)(CCC#N)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cc1
InChIInChI=1S/C20H19IN4O/c1-20(2,10-3-11-22)15-6-4-14(5-7-15)19(26)24-17-13-25-12-16(21)8-9-18(25)23-17/h4-9,12-13H,3,10H2,1-2H3,(H,24,26)
InChIKeyHSOHHAANNUTZPW-UHFFFAOYSA-N
XLogP4.77
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]-2-methylpropanoate
CID 59175639
N-(6-iodoimidazo[1,2-a]pyridin-2-yl)-4-methylsulfonylbenzamide
CID 68661287
6-chloro-N-methylimidazo[1,2-a]pyridin-2-amine;4-(4-formylphenyl)-4-methylpentanenitrile
CID 143620219
N-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-1-(propanoylamino)propan-2-yl]benzamide
CID 59175341
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-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]benzamide
CID 59175475
N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)-4-[1-(methanesulfonamido)-2-methylpropan-2-yl]benzamide
CID 59175320
2-methyl-2-[4-[(6-thiophen-3-ylimidazo[1,2-a]pyridin-2-yl)carbamoyl]phenyl]propanoic acid
CID 53321232
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-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175581
4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 68661327

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide?
The IUPAC name of 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide (CID 59175307) is 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide?
The canonical SMILES for 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide is CC(C)(CCC#N)c1ccc(C(=O)Nc2cn3cc(I)ccc3n2)cc1.
What is the InChIKey of 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide?
The InChIKey is HSOHHAANNUTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19IN4O/c1-20(2,10-3-11-22)15-6-4-14(5-7-15)19(26)24-17-13-25-12-16(21)8-9-18(25)23-17/h4-9,12-13H,3,10H2,1-2H3,(H,24,26).
What are the key properties of 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide?
4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide has a molecular weight of 458.30 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methylbutan-2-yl)-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzamide is sourced from PubChem (CID 59175307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).