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

C31H27FN4O5 — CID 56650328

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1
InChIInChI=1S/C31H27FN4O5/c1-40-25-8-2-20(3-9-25)29(37)21-14-16-36(17-15-21)31(39)22-4-12-27(33-18-22)30(38)35-24-7-13-28(34-19-24)41-26-10-5-23(32)6-11-26/h2-13,18-19,21H,14-17H2,1H3,(H,35,38)
InChIKeyLFVWKMPSGSNUPO-UHFFFAOYSA-N
MW554.58 g/mol
LogP5.40
Rot. Bonds8

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

N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 56650328) has the molecular formula C31H27FN4O5 and a molecular weight of 554.58 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID56650328
Molecular FormulaC31H27FN4O5
Molecular Weight554.58 g/mol
Exact Mass554.20
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1
InChIInChI=1S/C31H27FN4O5/c1-40-25-8-2-20(3-9-25)29(37)21-14-16-36(17-15-21)31(39)22-4-12-27(33-18-22)30(38)35-24-7-13-28(34-19-24)41-26-10-5-23(32)6-11-26/h2-13,18-19,21H,14-17H2,1H3,(H,35,38)
InChIKeyLFVWKMPSGSNUPO-UHFFFAOYSA-N
XLogP5.40
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.58
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 56650328) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is COc1ccc(C(=O)C2CCN(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-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is LFVWKMPSGSNUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN4O5/c1-40-25-8-2-20(3-9-25)29(37)21-14-16-36(17-15-21)31(39)22-4-12-27(33-18-22)30(38)35-24-7-13-28(34-19-24)41-26-10-5-23(32)6-11-26/h2-13,18-19,21H,14-17H2,1H3,(H,35,38).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 554.58 g/mol, XLogP of 5.40, 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-methoxybenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 56650328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).