2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide

C22H31N5O — CID 11417668

IUPAC2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1
InChIInChI=1S/C22H31N5O/c1-17(2)24-22(28)16-27-14-12-26(13-15-27)11-10-18-6-8-19(9-7-18)20-4-3-5-21(23)25-20/h3-9,17H,10-16H2,1-2H3,(H2,23,25)(H,24,28)
InChIKeyGJKKUWOOEFFGOH-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.02
Rot. Bonds7

About 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 11417668) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID11417668
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1
InChIInChI=1S/C22H31N5O/c1-17(2)24-22(28)16-27-14-12-26(13-15-27)11-10-18-6-8-19(9-7-18)20-4-3-5-21(23)25-20/h3-9,17H,10-16H2,1-2H3,(H2,23,25)(H,24,28)
InChIKeyGJKKUWOOEFFGOH-UHFFFAOYSA-N
XLogP2.02
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 11417668) is 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1.
What is the InChIKey of 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is GJKKUWOOEFFGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-17(2)24-22(28)16-27-14-12-26(13-15-27)11-10-18-6-8-19(9-7-18)20-4-3-5-21(23)25-20/h3-9,17H,10-16H2,1-2H3,(H2,23,25)(H,24,28).
What are the key properties of 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 381.52 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 11417668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).