6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide

C29H25F2N5O3 — CID 66710821

IUPAC6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C29H25F2N5O3/c30-23-5-1-20(2-6-23)19-35-13-15-36(16-14-35)29(38)22-3-11-26(32-18-22)34-28(37)21-4-12-27(33-17-21)39-25-9-7-24(31)8-10-25/h1-12,17-18H,13-16,19H2,(H,32,34,37)
InChIKeyBQJTYBHKLFNTMP-UHFFFAOYSA-N
MW529.55 g/mol
LogP4.76
Rot. Bonds7

About 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide

6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 66710821) has the molecular formula C29H25F2N5O3 and a molecular weight of 529.55 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID66710821
Molecular FormulaC29H25F2N5O3
Molecular Weight529.55 g/mol
Exact Mass529.19
IUPAC Name6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1)c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C29H25F2N5O3/c30-23-5-1-20(2-6-23)19-35-13-15-36(16-14-35)29(38)22-3-11-26(32-18-22)34-28(37)21-4-12-27(33-17-21)39-25-9-7-24(31)8-10-25/h1-12,17-18H,13-16,19H2,(H,32,34,37)
InChIKeyBQJTYBHKLFNTMP-UHFFFAOYSA-N
XLogP4.76
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide (CID 66710821) is 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1)c1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is BQJTYBHKLFNTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N5O3/c30-23-5-1-20(2-6-23)19-35-13-15-36(16-14-35)29(38)22-3-11-26(32-18-22)34-28(37)21-4-12-27(33-17-21)39-25-9-7-24(31)8-10-25/h1-12,17-18H,13-16,19H2,(H,32,34,37).
What are the key properties of 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide?
6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 529.55 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-N-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).