4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C24H24FN5O3 — CID 56943118

IUPAC4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)CN1CCN(c2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1
InChIInChI=1S/C24H24FN5O3/c25-17-3-7-20(8-4-17)33-19-5-1-16(2-6-19)21-13-18(14-22(28-21)24(27)32)30-11-9-29(10-12-30)15-23(26)31/h1-8,13-14H,9-12,15H2,(H2,26,31)(H2,27,32)
InChIKeyOHXYBQSJDZTQRQ-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.39
Rot. Bonds7

About 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 56943118) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID56943118
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)CN1CCN(c2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1
InChIInChI=1S/C24H24FN5O3/c25-17-3-7-20(8-4-17)33-19-5-1-16(2-6-19)21-13-18(14-22(28-21)24(27)32)30-11-9-29(10-12-30)15-23(26)31/h1-8,13-14H,9-12,15H2,(H2,26,31)(H2,27,32)
InChIKeyOHXYBQSJDZTQRQ-UHFFFAOYSA-N
XLogP2.39
TPSA114.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 56943118) is 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)CN1CCN(c2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1.
What is the InChIKey of 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is OHXYBQSJDZTQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c25-17-3-7-20(8-4-17)33-19-5-1-16(2-6-19)21-13-18(14-22(28-21)24(27)32)30-11-9-29(10-12-30)15-23(26)31/h1-8,13-14H,9-12,15H2,(H2,26,31)(H2,27,32).
What are the key properties of 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 56943118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).