1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone

C17H19N5O — CID 165401772

IUPAC1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC/C(=C/c2nc(C)cc(-c3cnccn3)n2)C1
InChIInChI=1S/C17H19N5O/c1-12-8-15(16-10-18-5-6-19-16)21-17(20-12)9-14-4-3-7-22(11-14)13(2)23/h5-6,8-10H,3-4,7,11H2,1-2H3/b14-9-
InChIKeyDFHJFAPXGRJYQH-ZROIWOOFSA-N
MW309.37 g/mol
LogP2.27
Rot. Bonds2

About 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone

1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone (PubChem CID 165401772) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone
PubChem CID165401772
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC/C(=C/c2nc(C)cc(-c3cnccn3)n2)C1
InChIInChI=1S/C17H19N5O/c1-12-8-15(16-10-18-5-6-19-16)21-17(20-12)9-14-4-3-7-22(11-14)13(2)23/h5-6,8-10H,3-4,7,11H2,1-2H3/b14-9-
InChIKeyDFHJFAPXGRJYQH-ZROIWOOFSA-N
XLogP2.27
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methyl-6-pyrazin-2-ylpyridine-4-carboxylic acid
CID 138718150
1-[2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]ethanone
CID 141121788
5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid
CID 156842800
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
(2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 67969925
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 110816131
2-fluoro-1-(4-pyrazin-2-yl-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one
CID 166417579
6-(2-methoxyacetyl)-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136820996
[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599506
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
pyrazin-2-yl pyrrolidine-1-carboxylate
CID 154365192

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone (CID 165401772) is 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone is CC(=O)N1CCC/C(=C/c2nc(C)cc(-c3cnccn3)n2)C1.
What is the InChIKey of 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone?
The InChIKey is DFHJFAPXGRJYQH-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-8-15(16-10-18-5-6-19-16)21-17(20-12)9-14-4-3-7-22(11-14)13(2)23/h5-6,8-10H,3-4,7,11H2,1-2H3/b14-9-.
What are the key properties of 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone?
1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone has a molecular weight of 309.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-[(4-methyl-6-pyrazin-2-ylpyrimidin-2-yl)methylidene]piperidin-1-yl]ethanone is sourced from PubChem (CID 165401772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).