2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide

C18H22N4O2 — CID 142659671

IUPAC2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccc3c(c2)CCC3)c(=O)n1CC(N)=O
InChIInChI=1S/C18H22N4O2/c1-12-10-21-17(18(24)22(12)11-16(19)23)20-8-7-13-5-6-14-3-2-4-15(14)9-13/h5-6,9-10H,2-4,7-8,11H2,1H3,(H2,19,23)(H,20,21)
InChIKeyYUQOBWQDDXYWEJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.18
Rot. Bonds6

About 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide

2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide (PubChem CID 142659671) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
PubChem CID142659671
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccc3c(c2)CCC3)c(=O)n1CC(N)=O
InChIInChI=1S/C18H22N4O2/c1-12-10-21-17(18(24)22(12)11-16(19)23)20-8-7-13-5-6-14-3-2-4-15(14)9-13/h5-6,9-10H,2-4,7-8,11H2,1H3,(H2,19,23)(H,20,21)
InChIKeyYUQOBWQDDXYWEJ-UHFFFAOYSA-N
XLogP1.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-carbamimidoyloxazinan-5-yl)-2-[3-[2-(3,4-dimethylphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 10275078
N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[2-(4-ethylphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 45104028
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
CID 67603385
ethyl N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamate
CID 110787782
N-(2-carbamimidoyloxazinan-5-yl)-2-[6-methyl-3-[2-(4-methylphenyl)ethylamino]-2-oxopyrazin-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 22179386
N-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 163555797
2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid
CID 11493883
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
2-amino-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82495829
2-[6-methyl-3-(methylamino)-2-oxopyrazin-1-yl]acetic acid
CID 20676284
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The IUPAC name of 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide (CID 142659671) is 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The canonical SMILES for 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide is Cc1cnc(NCCc2ccc3c(c2)CCC3)c(=O)n1CC(N)=O.
What is the InChIKey of 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The InChIKey is YUQOBWQDDXYWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-10-21-17(18(24)22(12)11-16(19)23)20-8-7-13-5-6-14-3-2-4-15(14)9-13/h5-6,9-10H,2-4,7-8,11H2,1H3,(H2,19,23)(H,20,21).
What are the key properties of 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide is sourced from PubChem (CID 142659671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).