1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione

C14H18N4O2 — CID 62927533

IUPAC1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione
SMILESCCCNc1ncccc1Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C14H18N4O2/c1-3-6-15-12-11(5-4-7-16-12)10-18-9-8-17(2)13(19)14(18)20/h4-5,7-9H,3,6,10H2,1-2H3,(H,15,16)
InChIKeyPJYYXARWCSYWSM-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.81
Rot. Bonds5

About 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione

1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione (PubChem CID 62927533) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione
PubChem CID62927533
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione
SMILESCCCNc1ncccc1Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C14H18N4O2/c1-3-6-15-12-11(5-4-7-16-12)10-18-9-8-17(2)13(19)14(18)20/h4-5,7-9H,3,6,10H2,1-2H3,(H,15,16)
InChIKeyPJYYXARWCSYWSM-UHFFFAOYSA-N
XLogP0.81
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione (CID 62927533) is 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione is CCCNc1ncccc1Cn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione?
The InChIKey is PJYYXARWCSYWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-6-15-12-11(5-4-7-16-12)10-18-9-8-17(2)13(19)14(18)20/h4-5,7-9H,3,6,10H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione?
1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione has a molecular weight of 274.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(propylamino)-3-pyridinyl]methyl]pyrazine-2,3-dione is sourced from PubChem (CID 62927533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).