2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide

C21H24FN5O4 — CID 3232505

IUPAC2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1cccc(F)c1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C21H24FN5O4/c1-14(28)24-18(13-15-4-2-5-16(22)12-15)21(29)25-17-7-10-26(11-8-17)20-19(27(30)31)6-3-9-23-20/h2-6,9,12,17-18H,7-8,10-11,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyOFRDFNWDIPDQED-UHFFFAOYSA-N
MW429.45 g/mol
LogP1.96
Rot. Bonds7

About 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide

2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide (PubChem CID 3232505) has the molecular formula C21H24FN5O4 and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide
PubChem CID3232505
Molecular FormulaC21H24FN5O4
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1cccc(F)c1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C21H24FN5O4/c1-14(28)24-18(13-15-4-2-5-16(22)12-15)21(29)25-17-7-10-26(11-8-17)20-19(27(30)31)6-3-9-23-20/h2-6,9,12,17-18H,7-8,10-11,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyOFRDFNWDIPDQED-UHFFFAOYSA-N
XLogP1.96
TPSA117.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide (CID 3232505) is 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide is CC(=O)NC(Cc1cccc(F)c1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide?
The InChIKey is OFRDFNWDIPDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O4/c1-14(28)24-18(13-15-4-2-5-16(22)12-15)21(29)25-17-7-10-26(11-8-17)20-19(27(30)31)6-3-9-23-20/h2-6,9,12,17-18H,7-8,10-11,13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide?
2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide has a molecular weight of 429.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-fluorophenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 3232505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).