1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one

C16H21N5O — CID 136542354

IUPAC1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one
SMILESCc1cccc(NC2CCCN(c3nccn(C)c3=O)C2)n1
InChIInChI=1S/C16H21N5O/c1-12-5-3-7-14(18-12)19-13-6-4-9-21(11-13)15-16(22)20(2)10-8-17-15/h3,5,7-8,10,13H,4,6,9,11H2,1-2H3,(H,18,19)
InChIKeyVKLBXBNNPQMOFT-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.56
Rot. Bonds3

About 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one

1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one (PubChem CID 136542354) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one
PubChem CID136542354
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one
SMILESCc1cccc(NC2CCCN(c3nccn(C)c3=O)C2)n1
InChIInChI=1S/C16H21N5O/c1-12-5-3-7-14(18-12)19-13-6-4-9-21(11-13)15-16(22)20(2)10-8-17-15/h3,5,7-8,10,13H,4,6,9,11H2,1-2H3,(H,18,19)
InChIKeyVKLBXBNNPQMOFT-UHFFFAOYSA-N
XLogP1.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one
CID 129474978
3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128992835
2,3-difluoro-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]benzamide
CID 129475393
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-5-carboxamide
CID 128989356
3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129476201
3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128995472
N-[1-(2-methoxyphenyl)piperidin-3-yl]-6-methylpyridin-2-amine
CID 133483342
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea
CID 128965407

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one (CID 136542354) is 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one is Cc1cccc(NC2CCCN(c3nccn(C)c3=O)C2)n1.
What is the InChIKey of 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one?
The InChIKey is VKLBXBNNPQMOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-5-3-7-14(18-12)19-13-6-4-9-21(11-13)15-16(22)20(2)10-8-17-15/h3,5,7-8,10,13H,4,6,9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one has a molecular weight of 299.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 136542354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).