N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide

C30H27FN4O5 — CID 56650665

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1
InChIInChI=1S/C30H27FN4O5/c1-38-23-8-10-24(11-9-23)39-26-14-16-35(17-15-26)30(37)20-2-12-27(32-18-20)29(36)34-22-5-13-28(33-19-22)40-25-6-3-21(31)4-7-25/h2-13,18-19,26H,14-17H2,1H3,(H,34,36)
InChIKeyUFHBGTJZBONLAE-UHFFFAOYSA-N
MW542.57 g/mol
LogP5.35
Rot. Bonds8

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 56650665) has the molecular formula C30H27FN4O5 and a molecular weight of 542.57 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID56650665
Molecular FormulaC30H27FN4O5
Molecular Weight542.57 g/mol
Exact Mass542.20
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1
InChIInChI=1S/C30H27FN4O5/c1-38-23-8-10-24(11-9-23)39-26-14-16-35(17-15-26)30(37)20-2-12-27(32-18-20)29(36)34-22-5-13-28(33-19-22)40-25-6-3-21(31)4-7-25/h2-13,18-19,26H,14-17H2,1H3,(H,34,36)
InChIKeyUFHBGTJZBONLAE-UHFFFAOYSA-N
XLogP5.35
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 56650665) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide is COc1ccc(OC2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is UFHBGTJZBONLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O5/c1-38-23-8-10-24(11-9-23)39-26-14-16-35(17-15-26)30(37)20-2-12-27(32-18-20)29(36)34-22-5-13-28(33-19-22)40-25-6-3-21(31)4-7-25/h2-13,18-19,26H,14-17H2,1H3,(H,34,36).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 542.57 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 56650665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).