N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide

C16H16N4O2 — CID 121064179

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H16N4O2/c21-15(10-20-11-17-7-6-16(20)22)18-8-5-12-9-19-14-4-2-1-3-13(12)14/h1-4,6-7,9,11,19H,5,8,10H2,(H,18,21)
InChIKeyHRNCTFVZFWWEJE-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.08
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064179) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID121064179
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H16N4O2/c21-15(10-20-11-17-7-6-16(20)22)18-8-5-12-9-19-14-4-2-1-3-13(12)14/h1-4,6-7,9,11,19H,5,8,10H2,(H,18,21)
InChIKeyHRNCTFVZFWWEJE-UHFFFAOYSA-N
XLogP1.08
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121090616
ethane-1,2-diamine;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;platinum
CID 142609872
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 71754941
2-(4-acetamidotriazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112528868
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121050894
2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 16668009
3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]-1H-indole
CID 3348198

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide (CID 121064179) is N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cnccc1=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is HRNCTFVZFWWEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(10-20-11-17-7-6-16(20)22)18-8-5-12-9-19-14-4-2-1-3-13(12)14/h1-4,6-7,9,11,19H,5,8,10H2,(H,18,21).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).