N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

C25H26FN5O3 — CID 87302388

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESO=CN(Cc1cccnc1)c1ccc(N2CC(O)CCC2=O)nc1NCCc1cccc(F)c1
InChIInChI=1S/C25H26FN5O3/c26-20-5-1-3-18(13-20)10-12-28-25-22(30(17-32)15-19-4-2-11-27-14-19)7-8-23(29-25)31-16-21(33)6-9-24(31)34/h1-5,7-8,11,13-14,17,21,33H,6,9-10,12,15-16H2,(H,28,29)
InChIKeyHUUAWXUETAZJGA-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.92
Rot. Bonds9

About N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (PubChem CID 87302388) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
PubChem CID87302388
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESO=CN(Cc1cccnc1)c1ccc(N2CC(O)CCC2=O)nc1NCCc1cccc(F)c1
InChIInChI=1S/C25H26FN5O3/c26-20-5-1-3-18(13-20)10-12-28-25-22(30(17-32)15-19-4-2-11-27-14-19)7-8-23(29-25)31-16-21(33)6-9-24(31)34/h1-5,7-8,11,13-14,17,21,33H,6,9-10,12,15-16H2,(H,28,29)
InChIKeyHUUAWXUETAZJGA-UHFFFAOYSA-N
XLogP2.92
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (CID 87302388) is N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is O=CN(Cc1cccnc1)c1ccc(N2CC(O)CCC2=O)nc1NCCc1cccc(F)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The InChIKey is HUUAWXUETAZJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c26-20-5-1-3-18(13-20)10-12-28-25-22(30(17-32)15-19-4-2-11-27-14-19)7-8-23(29-25)31-16-21(33)6-9-24(31)34/h1-5,7-8,11,13-14,17,21,33H,6,9-10,12,15-16H2,(H,28,29).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide has a molecular weight of 463.51 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-hydroxy-2-oxopiperidin-1-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is sourced from PubChem (CID 87302388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).