N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide

C23H24N4O2S — CID 56572696

IUPACN-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
SMILESN#CCCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCOCC1
InChIInChI=1S/C23H24N4O2S/c24-11-3-13-27(20-9-14-29-15-10-20)23(28)18-5-7-21(8-6-18)30-17-19-16-26-12-2-1-4-22(26)25-19/h1-2,4-8,12,16,20H,3,9-10,13-15,17H2
InChIKeyORVBAVLECJAAKO-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.16
Rot. Bonds7

About N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide

N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide (PubChem CID 56572696) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
PubChem CID56572696
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
SMILESN#CCCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCOCC1
InChIInChI=1S/C23H24N4O2S/c24-11-3-13-27(20-9-14-29-15-10-20)23(28)18-5-7-21(8-6-18)30-17-19-16-26-12-2-1-4-22(26)25-19/h1-2,4-8,12,16,20H,3,9-10,13-15,17H2
InChIKeyORVBAVLECJAAKO-UHFFFAOYSA-N
XLogP4.16
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119553673
N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 31702932
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
N-[(4-cyanophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134035536
[2-(cyclohexylamino)-2-oxoethyl] 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoate
CID 86934624
N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 119660450
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
CID 154858648
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55515621
N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide
CID 56534745
N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119616671
N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56784305

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide?
The IUPAC name of N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide (CID 56572696) is N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide is N#CCCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide?
The InChIKey is ORVBAVLECJAAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c24-11-3-13-27(20-9-14-29-15-10-20)23(28)18-5-7-21(8-6-18)30-17-19-16-26-12-2-1-4-22(26)25-19/h1-2,4-8,12,16,20H,3,9-10,13-15,17H2.
What are the key properties of N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide?
N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide has a molecular weight of 420.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 56572696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).