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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002
1-(3-ethoxypropyl)-N-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569327
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731292
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284

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).