3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one

C14H18N4O — CID 62928286

IUPAC3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cccc(C)n2)c1=O
InChIInChI=1S/C14H18N4O/c1-3-8-18-9-7-15-13(14(18)19)16-10-12-6-4-5-11(2)17-12/h4-7,9H,3,8,10H2,1-2H3,(H,15,16)
InChIKeyBPPUOHZJLJRAOB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds5

About 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one

3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one (PubChem CID 62928286) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
PubChem CID62928286
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cccc(C)n2)c1=O
InChIInChI=1S/C14H18N4O/c1-3-8-18-9-7-15-13(14(18)19)16-10-12-6-4-5-11(2)17-12/h4-7,9H,3,8,10H2,1-2H3,(H,15,16)
InChIKeyBPPUOHZJLJRAOB-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one (CID 62928286) is 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2cccc(C)n2)c1=O.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is BPPUOHZJLJRAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-8-18-9-7-15-13(14(18)19)16-10-12-6-4-5-11(2)17-12/h4-7,9H,3,8,10H2,1-2H3,(H,15,16).
What are the key properties of 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one?
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62928286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).