(5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone

C13H20N4O — CID 166250598

IUPAC(5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CNCCN1C(=O)c1ccc(N)cn1
InChIInChI=1S/C13H20N4O/c1-9(2)12-8-15-5-6-17(12)13(18)11-4-3-10(14)7-16-11/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3
InChIKeyZNDIORFYYUHKAW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.73
Rot. Bonds2

About (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone

(5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 166250598) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone
PubChem CID166250598
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CNCCN1C(=O)c1ccc(N)cn1
InChIInChI=1S/C13H20N4O/c1-9(2)12-8-15-5-6-17(12)13(18)11-4-3-10(14)7-16-11/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3
InChIKeyZNDIORFYYUHKAW-UHFFFAOYSA-N
XLogP0.73
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104637984
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82241133
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241180
(5-bromo-2-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62998965
1-[(2S)-2-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 178149629
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-amino-2-pyridinyl)methanone
CID 82747718
(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82247226
N-[3-(2-propan-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 82250545
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone (CID 166250598) is (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone is CC(C)C1CNCCN1C(=O)c1ccc(N)cn1.
What is the InChIKey of (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZNDIORFYYUHKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)12-8-15-5-6-17(12)13(18)11-4-3-10(14)7-16-11/h3-4,7,9,12,15H,5-6,8,14H2,1-2H3.
What are the key properties of (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone?
(5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(2-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 166250598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).