3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione

C14H20N4O2 — CID 79233937

IUPAC3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
SMILESCCCNc1cccc(CN2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C14H20N4O2/c1-3-7-15-12-6-4-5-11(16-12)8-18-9-13(19)17-14(20)10(18)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyDDJRQVXMQCCZFG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.75
Rot. Bonds5

About 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione

3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione (PubChem CID 79233937) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
PubChem CID79233937
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
SMILESCCCNc1cccc(CN2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C14H20N4O2/c1-3-7-15-12-6-4-5-11(16-12)8-18-9-13(19)17-14(20)10(18)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyDDJRQVXMQCCZFG-UHFFFAOYSA-N
XLogP0.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-5-one
CID 79232293
6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-propylpyridin-2-amine
CID 104968857
3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione
CID 103056602
N-propyl-6-(pyrazol-1-ylmethyl)pyridin-2-amine
CID 79232077
4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione
CID 80850816
4-[(3-bromophenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66074859
6-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904217
6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
CID 79242954
3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione
CID 66062310
3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one
CID 79231510
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 79231506
3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione
CID 80850902

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione (CID 79233937) is 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione is CCCNc1cccc(CN2CC(=O)NC(=O)C2C)n1.
What is the InChIKey of 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione?
The InChIKey is DDJRQVXMQCCZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-7-15-12-6-4-5-11(16-12)8-18-9-13(19)17-14(20)10(18)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,16)(H,17,19,20).
What are the key properties of 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione?
3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione is sourced from PubChem (CID 79233937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).