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

C30H26F2N4O3 — CID 56649997

IUPACN-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H26F2N4O3/c31-23-4-1-21(2-5-23)20-35-15-17-36(18-16-35)30(38)22-3-14-28(33-19-22)29(37)34-25-8-12-27(13-9-25)39-26-10-6-24(32)7-11-26/h1-14,19H,15-18,20H2,(H,34,37)
InChIKeyNOIUJGNQSASNRI-UHFFFAOYSA-N
MW528.56 g/mol
LogP5.36
Rot. Bonds7

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

N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 56649997) has the molecular formula C30H26F2N4O3 and a molecular weight of 528.56 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID56649997
Molecular FormulaC30H26F2N4O3
Molecular Weight528.56 g/mol
Exact Mass528.20
IUPAC NameN-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H26F2N4O3/c31-23-4-1-21(2-5-23)20-35-15-17-36(18-16-35)30(38)22-3-14-28(33-19-22)29(37)34-25-8-12-27(13-9-25)39-26-10-6-24(32)7-11-26/h1-14,19H,15-18,20H2,(H,34,37)
InChIKeyNOIUJGNQSASNRI-UHFFFAOYSA-N
XLogP5.36
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (CID 56649997) is N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is NOIUJGNQSASNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N4O3/c31-23-4-1-21(2-5-23)20-35-15-17-36(18-16-35)30(38)22-3-14-28(33-19-22)29(37)34-25-8-12-27(13-9-25)39-26-10-6-24(32)7-11-26/h1-14,19H,15-18,20H2,(H,34,37).
What are the key properties of N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 528.56 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 56649997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).