2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide

C13H21N3O2 — CID 74245881

IUPAC2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide
SMILESCC(C)OC(C)C(=O)NCCNc1cccnc1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-11(3)13(17)16-8-7-15-12-5-4-6-14-9-12/h4-6,9-11,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyPTZDOPACGLPNQK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.42
Rot. Bonds7

About 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide

2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide (PubChem CID 74245881) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide
PubChem CID74245881
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide
SMILESCC(C)OC(C)C(=O)NCCNc1cccnc1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-11(3)13(17)16-8-7-15-12-5-4-6-14-9-12/h4-6,9-11,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyPTZDOPACGLPNQK-UHFFFAOYSA-N
XLogP1.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide?
The IUPAC name of 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide (CID 74245881) is 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide?
The canonical SMILES for 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide is CC(C)OC(C)C(=O)NCCNc1cccnc1.
What is the InChIKey of 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide?
The InChIKey is PTZDOPACGLPNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)18-11(3)13(17)16-8-7-15-12-5-4-6-14-9-12/h4-6,9-11,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide?
2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[2-(pyridin-3-ylamino)ethyl]propanamide is sourced from PubChem (CID 74245881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).