6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide

C31H28FN5O5 — CID 66710707

IUPAC6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(OC2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)c1
InChIInChI=1S/C31H28FN5O5/c1-20(38)35-23-3-2-4-27(17-23)41-26-13-15-37(16-14-26)31(40)28-11-5-21(18-33-28)30(39)36-24-8-12-29(34-19-24)42-25-9-6-22(32)7-10-25/h2-12,17-19,26H,13-16H2,1H3,(H,35,38)(H,36,39)
InChIKeyHFTJORLORZXKEZ-UHFFFAOYSA-N
MW569.59 g/mol
LogP5.30
Rot. Bonds8

About 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide

6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 66710707) has the molecular formula C31H28FN5O5 and a molecular weight of 569.59 g/mol. Its IUPAC name is 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID66710707
Molecular FormulaC31H28FN5O5
Molecular Weight569.59 g/mol
Exact Mass569.21
IUPAC Name6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(OC2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)c1
InChIInChI=1S/C31H28FN5O5/c1-20(38)35-23-3-2-4-27(17-23)41-26-13-15-37(16-14-26)31(40)28-11-5-21(18-33-28)30(39)36-24-8-12-29(34-19-24)42-25-9-6-22(32)7-10-25/h2-12,17-19,26H,13-16H2,1H3,(H,35,38)(H,36,39)
InChIKeyHFTJORLORZXKEZ-UHFFFAOYSA-N
XLogP5.30
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.59
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 66710707) is 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide is CC(=O)Nc1cccc(OC2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)c1.
What is the InChIKey of 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is HFTJORLORZXKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN5O5/c1-20(38)35-23-3-2-4-27(17-23)41-26-13-15-37(16-14-26)31(40)28-11-5-21(18-33-28)30(39)36-24-8-12-29(34-19-24)42-25-9-6-22(32)7-10-25/h2-12,17-19,26H,13-16H2,1H3,(H,35,38)(H,36,39).
What are the key properties of 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide?
6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 569.59 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-acetamidophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).