2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide

C18H19N7O3 — CID 17493812

IUPAC2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)NCCc1cn3ccccc3n1)c(=O)n2C
InChIInChI=1S/C18H19N7O3/c1-22-11-20-16-15(22)17(27)25(18(28)23(16)2)10-14(26)19-7-6-12-9-24-8-4-3-5-13(24)21-12/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,19,26)
InChIKeyYENKOXIJHLFJPZ-UHFFFAOYSA-N
MW381.40 g/mol
LogP-0.56
Rot. Bonds5

About 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide (PubChem CID 17493812) has the molecular formula C18H19N7O3 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
PubChem CID17493812
Molecular FormulaC18H19N7O3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)NCCc1cn3ccccc3n1)c(=O)n2C
InChIInChI=1S/C18H19N7O3/c1-22-11-20-16-15(22)17(27)25(18(28)23(16)2)10-14(26)19-7-6-12-9-24-8-4-3-5-13(24)21-12/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,19,26)
InChIKeyYENKOXIJHLFJPZ-UHFFFAOYSA-N
XLogP-0.56
TPSA108.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-aminobutyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide;hydrochloride
CID 119494937
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17412450
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 51153692
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444940
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 31124643
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38294658
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide
CID 26727406
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 55848555
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 25430739
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31008366
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenoxybutanamide
CID 31008224
2-(2-tert-butylphenoxy)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
CID 31008363

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide (CID 17493812) is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide is Cn1cnc2c1c(=O)n(CC(=O)NCCc1cn3ccccc3n1)c(=O)n2C.
What is the InChIKey of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide?
The InChIKey is YENKOXIJHLFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3/c1-22-11-20-16-15(22)17(27)25(18(28)23(16)2)10-14(26)19-7-6-12-9-24-8-4-3-5-13(24)21-12/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,19,26).
What are the key properties of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide?
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide has a molecular weight of 381.40 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 17493812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).