2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide

C18H22N6O2 — CID 1294333

IUPAC2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(CC(=O)Nc2ccccn2)CC1)Nc1ccccn1
InChIInChI=1S/C18H22N6O2/c25-17(21-15-5-1-3-7-19-15)13-23-9-11-24(12-10-23)14-18(26)22-16-6-2-4-8-20-16/h1-8H,9-14H2,(H,19,21,25)(H,20,22,26)
InChIKeyIUFFHSVFXKGTJX-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.67
Rot. Bonds6

About 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide

2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 1294333) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID1294333
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCN(CC(=O)Nc2ccccn2)CC1)Nc1ccccn1
InChIInChI=1S/C18H22N6O2/c25-17(21-15-5-1-3-7-19-15)13-23-9-11-24(12-10-23)14-18(26)22-16-6-2-4-8-20-16/h1-8H,9-14H2,(H,19,21,25)(H,20,22,26)
InChIKeyIUFFHSVFXKGTJX-UHFFFAOYSA-N
XLogP0.67
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide (CID 1294333) is 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide is O=C(CN1CCN(CC(=O)Nc2ccccn2)CC1)Nc1ccccn1.
What is the InChIKey of 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is IUFFHSVFXKGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c25-17(21-15-5-1-3-7-19-15)13-23-9-11-24(12-10-23)14-18(26)22-16-6-2-4-8-20-16/h1-8H,9-14H2,(H,19,21,25)(H,20,22,26).
What are the key properties of 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide?
2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 354.41 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1294333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).