3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one

C14H18N4O — CID 114701033

IUPAC3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2ccncc2C)c1=O
InChIInChI=1S/C14H18N4O/c1-3-7-18-8-6-16-13(14(18)19)17-10-12-4-5-15-9-11(12)2/h4-6,8-9H,3,7,10H2,1-2H3,(H,16,17)
InChIKeyRHVZPVKODLPUPY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds5

About 3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one

3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one (PubChem CID 114701033) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
PubChem CID114701033
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2ccncc2C)c1=O
InChIInChI=1S/C14H18N4O/c1-3-7-18-8-6-16-13(14(18)19)17-10-12-4-5-15-9-11(12)2/h4-6,8-9H,3,7,10H2,1-2H3,(H,16,17)
InChIKeyRHVZPVKODLPUPY-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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Related Compounds

1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
1-cyclopropyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrazin-2-one
CID 114700807
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine
CID 106583359
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62927452
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one (CID 114701033) is 3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2ccncc2C)c1=O.
What is the InChIKey of 3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is RHVZPVKODLPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-7-18-8-6-16-13(14(18)19)17-10-12-4-5-15-9-11(12)2/h4-6,8-9H,3,7,10H2,1-2H3,(H,16,17).
What are the key properties of 3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one?
3-[(3-methyl-4-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-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 114701033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).