6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C22H24N4O2 — CID 71261688

IUPAC6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4ccccn4)CC3)cnc2N1
InChIInChI=1S/C22H24N4O2/c27-20-6-5-18-13-17(15-24-22(18)25-20)4-7-21(28)26-11-8-16(9-12-26)14-19-3-1-2-10-23-19/h1-4,7,10,13,15-16H,5-6,8-9,11-12,14H2,(H,24,25,27)/b7-4+
InChIKeyPPKFPQPYFJNCOQ-QPJJXVBHSA-N
MW376.46 g/mol
LogP2.86
Rot. Bonds4

About 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71261688) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71261688
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4ccccn4)CC3)cnc2N1
InChIInChI=1S/C22H24N4O2/c27-20-6-5-18-13-17(15-24-22(18)25-20)4-7-21(28)26-11-8-16(9-12-26)14-19-3-1-2-10-23-19/h1-4,7,10,13,15-16H,5-6,8-9,11-12,14H2,(H,24,25,27)/b7-4+
InChIKeyPPKFPQPYFJNCOQ-QPJJXVBHSA-N
XLogP2.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71261688) is 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4ccccn4)CC3)cnc2N1.
What is the InChIKey of 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is PPKFPQPYFJNCOQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-20-6-5-18-13-17(15-24-22(18)25-20)4-7-21(28)26-11-8-16(9-12-26)14-19-3-1-2-10-23-19/h1-4,7,10,13,15-16H,5-6,8-9,11-12,14H2,(H,24,25,27)/b7-4+.
What are the key properties of 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-oxo-3-[4-(pyridin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71261688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).