3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one

C24H27N5O — CID 24969366

IUPAC3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one
SMILESC/C(=C\c1ccccc1)CN1CCC(Nc2nccn(-c3ccccn3)c2=O)CC1
InChIInChI=1S/C24H27N5O/c1-19(17-20-7-3-2-4-8-20)18-28-14-10-21(11-15-28)27-23-24(30)29(16-13-26-23)22-9-5-6-12-25-22/h2-9,12-13,16-17,21H,10-11,14-15,18H2,1H3,(H,26,27)/b19-17+
InChIKeyIVFCPIKASZSJIB-HTXNQAPBSA-N
MW401.51 g/mol
LogP3.61
Rot. Bonds6

About 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one

3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one (PubChem CID 24969366) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one
PubChem CID24969366
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one
SMILESC/C(=C\c1ccccc1)CN1CCC(Nc2nccn(-c3ccccn3)c2=O)CC1
InChIInChI=1S/C24H27N5O/c1-19(17-20-7-3-2-4-8-20)18-28-14-10-21(11-15-28)27-23-24(30)29(16-13-26-23)22-9-5-6-12-25-22/h2-9,12-13,16-17,21H,10-11,14-15,18H2,1H3,(H,26,27)/b19-17+
InChIKeyIVFCPIKASZSJIB-HTXNQAPBSA-N
XLogP3.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one?
The IUPAC name of 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one (CID 24969366) is 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one?
The canonical SMILES for 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one is C/C(=C\c1ccccc1)CN1CCC(Nc2nccn(-c3ccccn3)c2=O)CC1.
What is the InChIKey of 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one?
The InChIKey is IVFCPIKASZSJIB-HTXNQAPBSA-N. The full InChI is InChI=1S/C24H27N5O/c1-19(17-20-7-3-2-4-8-20)18-28-14-10-21(11-15-28)27-23-24(30)29(16-13-26-23)22-9-5-6-12-25-22/h2-9,12-13,16-17,21H,10-11,14-15,18H2,1H3,(H,26,27)/b19-17+.
What are the key properties of 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one?
3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one has a molecular weight of 401.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-yl]amino]-1-pyridin-2-ylpyrazin-2-one is sourced from PubChem (CID 24969366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).