3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one

C26H34N4O — CID 57191781

IUPAC3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one
SMILESC[C@@H]1CCC[C@H](C)N1CCCCCn1c(=O)c(-c2cccc(N)n2)cc2ccccc21
InChIInChI=1S/C26H34N4O/c1-19-10-8-11-20(2)29(19)16-6-3-7-17-30-24-14-5-4-12-21(24)18-22(26(30)31)23-13-9-15-25(27)28-23/h4-5,9,12-15,18-20H,3,6-8,10-11,16-17H2,1-2H3,(H2,27,28)/t19-,20+
InChIKeyJFVMGNVAWSGFOC-BGYRXZFFSA-N
MW418.59 g/mol
LogP5.08
Rot. Bonds7

About 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one

3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one (PubChem CID 57191781) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one.

Molecular Properties

Compound Name3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one
PubChem CID57191781
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one
SMILESC[C@@H]1CCC[C@H](C)N1CCCCCn1c(=O)c(-c2cccc(N)n2)cc2ccccc21
InChIInChI=1S/C26H34N4O/c1-19-10-8-11-20(2)29(19)16-6-3-7-17-30-24-14-5-4-12-21(24)18-22(26(30)31)23-13-9-15-25(27)28-23/h4-5,9,12-15,18-20H,3,6-8,10-11,16-17H2,1-2H3,(H2,27,28)/t19-,20+
InChIKeyJFVMGNVAWSGFOC-BGYRXZFFSA-N
XLogP5.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one?
The IUPAC name of 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one (CID 57191781) is 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one.
What is the SMILES notation for 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one?
The canonical SMILES for 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one is C[C@@H]1CCC[C@H](C)N1CCCCCn1c(=O)c(-c2cccc(N)n2)cc2ccccc21.
What is the InChIKey of 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one?
The InChIKey is JFVMGNVAWSGFOC-BGYRXZFFSA-N. The full InChI is InChI=1S/C26H34N4O/c1-19-10-8-11-20(2)29(19)16-6-3-7-17-30-24-14-5-4-12-21(24)18-22(26(30)31)23-13-9-15-25(27)28-23/h4-5,9,12-15,18-20H,3,6-8,10-11,16-17H2,1-2H3,(H2,27,28)/t19-,20+.
What are the key properties of 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one?
3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one has a molecular weight of 418.59 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one is sourced from PubChem (CID 57191781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).