3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one

C13H20N4O — CID 113367834

IUPAC3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
SMILESCCCNc1cc(N2CCNC(=O)C2C)ccn1
InChIInChI=1S/C13H20N4O/c1-3-5-14-12-9-11(4-6-15-12)17-8-7-16-13(18)10(17)2/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyJRUQFDLGXFWAHB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds4

About 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one

3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one (PubChem CID 113367834) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
PubChem CID113367834
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one
SMILESCCCNc1cc(N2CCNC(=O)C2C)ccn1
InChIInChI=1S/C13H20N4O/c1-3-5-14-12-9-11(4-6-15-12)17-8-7-16-13(18)10(17)2/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyJRUQFDLGXFWAHB-UHFFFAOYSA-N
XLogP1.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 26216
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CID 74947
N,N'-Bis(2-pyridyl)oxalamide
CID 1927420
3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11206949
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
3-Amino-N-{4-[(3s)-3-Aminopiperidin-1-Yl]pyridin-3-Yl}pyrazine-2-Carboxamide
CID 68187421
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
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547268
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227340
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one (CID 113367834) is 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one is CCCNc1cc(N2CCNC(=O)C2C)ccn1.
What is the InChIKey of 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one?
The InChIKey is JRUQFDLGXFWAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-5-14-12-9-11(4-6-15-12)17-8-7-16-13(18)10(17)2/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one?
3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(propylamino)-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 113367834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).