3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one

C14H20N4O2 — CID 63600748

IUPAC3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one
SMILESCCCNc1cccc(C(=O)N2CCNC(=O)C2C)n1
InChIInChI=1S/C14H20N4O2/c1-3-7-15-12-6-4-5-11(17-12)14(20)18-9-8-16-13(19)10(18)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyIRFHQDBYKJMQOK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.86
Rot. Bonds4

About 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one

3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one (PubChem CID 63600748) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one
PubChem CID63600748
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one
SMILESCCCNc1cccc(C(=O)N2CCNC(=O)C2C)n1
InChIInChI=1S/C14H20N4O2/c1-3-7-15-12-6-4-5-11(17-12)14(20)18-9-8-16-13(19)10(18)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyIRFHQDBYKJMQOK-UHFFFAOYSA-N
XLogP0.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one (CID 63600748) is 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one is CCCNc1cccc(C(=O)N2CCNC(=O)C2C)n1.
What is the InChIKey of 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one?
The InChIKey is IRFHQDBYKJMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-7-15-12-6-4-5-11(17-12)14(20)18-9-8-16-13(19)10(18)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one?
3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 63600748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).