N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C25H24N4O2S — CID 134033318

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C25H24N4O2S/c26-23(30)13-15-29(16-19-6-2-1-3-7-19)25(31)20-9-11-22(12-10-20)32-18-21-17-28-14-5-4-8-24(28)27-21/h1-12,14,17H,13,15-16,18H2,(H2,26,30)
InChIKeyALKLLVCBVCHPCI-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.14
Rot. Bonds9

About N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 134033318) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID134033318
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C25H24N4O2S/c26-23(30)13-15-29(16-19-6-2-1-3-7-19)25(31)20-9-11-22(12-10-20)32-18-21-17-28-14-5-4-8-24(28)27-21/h1-12,14,17H,13,15-16,18H2,(H2,26,30)
InChIKeyALKLLVCBVCHPCI-UHFFFAOYSA-N
XLogP4.14
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 31702932
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-(3-amino-4-methylpentyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 119660450
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-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134046116
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 31842029
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55515621
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119553673
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 134033318) is N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is ALKLLVCBVCHPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c26-23(30)13-15-29(16-19-6-2-1-3-7-19)25(31)20-9-11-22(12-10-20)32-18-21-17-28-14-5-4-8-24(28)27-21/h1-12,14,17H,13,15-16,18H2,(H2,26,30).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 444.56 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 134033318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).