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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Related Compounds

L-374,087
CID 9911866
L-375378
CID 154118
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)phenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91808024
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
N-(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 6426822
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11796404
1-[[4-[5-Fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazolidine-2,4-dione
CID 56595577
N-{2-[7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1,2,3,4-tetrahydroquinolin-1-yl]ethyl}acetamide
CID 23628222
7Wvz3C3pmq
CID 9956947

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).