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

C29H25F2N5O3 — CID 56650324

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

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

N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 56650324) has the molecular formula C29H25F2N5O3 and a molecular weight of 529.55 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID56650324
Molecular FormulaC29H25F2N5O3
Molecular Weight529.55 g/mol
Exact Mass529.19
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C29H25F2N5O3/c30-22-4-1-20(2-5-22)19-35-13-15-36(16-14-35)29(38)21-3-11-26(32-17-21)28(37)34-24-8-12-27(33-18-24)39-25-9-6-23(31)7-10-25/h1-12,17-18H,13-16,19H2,(H,34,37)
InChIKeyXOCNQFFZQFEWHW-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 N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (CID 56650324) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is XOCNQFFZQFEWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N5O3/c30-22-4-1-20(2-5-22)19-35-13-15-36(16-14-35)29(38)21-3-11-26(32-17-21)28(37)34-24-8-12-27(33-18-24)39-25-9-6-23(31)7-10-25/h1-12,17-18H,13-16,19H2,(H,34,37).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-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 N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 56650324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).