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

C34H32FN5O5 — CID 66710846

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCOCC4)cc3)CC2)cn1
InChIInChI=1S/C34H32FN5O5/c35-26-4-9-29(10-5-26)45-31-12-6-27(22-37-31)38-33(42)30-11-3-25(21-36-30)34(43)40-15-13-24(14-16-40)32(41)23-1-7-28(8-2-23)39-17-19-44-20-18-39/h1-12,21-22,24H,13-20H2,(H,38,42)
InChIKeyGMARCTCAIUDFNX-UHFFFAOYSA-N
MW609.66 g/mol
LogP5.23
Rot. Bonds8

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

N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710846) has the molecular formula C34H32FN5O5 and a molecular weight of 609.66 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710846
Molecular FormulaC34H32FN5O5
Molecular Weight609.66 g/mol
Exact Mass609.24
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCOCC4)cc3)CC2)cn1
InChIInChI=1S/C34H32FN5O5/c35-26-4-9-29(10-5-26)45-31-12-6-27(22-37-31)38-33(42)30-11-3-25(21-36-30)34(43)40-15-13-24(14-16-40)32(41)23-1-7-28(8-2-23)39-17-19-44-20-18-39/h1-12,21-22,24H,13-20H2,(H,38,42)
InChIKeyGMARCTCAIUDFNX-UHFFFAOYSA-N
XLogP5.23
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.66
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710846) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCOCC4)cc3)CC2)cn1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is GMARCTCAIUDFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN5O5/c35-26-4-9-29(10-5-26)45-31-12-6-27(22-37-31)38-33(42)30-11-3-25(21-36-30)34(43)40-15-13-24(14-16-40)32(41)23-1-7-28(8-2-23)39-17-19-44-20-18-39/h1-12,21-22,24H,13-20H2,(H,38,42).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 609.66 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).