N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide

C34H32N4O7S — CID 66710579

IUPACN-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(S(=O)(=O)C6CC6)cc5)CC4)nc3)cn2)cc1
InChIInChI=1S/C34H32N4O7S/c1-22(39)23-2-6-27(7-3-23)45-32-15-5-25(21-36-32)37-33(40)24-4-14-31(35-20-24)34(41)38-18-16-28(17-19-38)44-26-8-10-29(11-9-26)46(42,43)30-12-13-30/h2-11,14-15,20-21,28,30H,12-13,16-19H2,1H3,(H,37,40)
InChIKeyMAJDJUWLOQSGFM-UHFFFAOYSA-N
MW640.72 g/mol
LogP5.34
Rot. Bonds10

About N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 66710579) has the molecular formula C34H32N4O7S and a molecular weight of 640.72 g/mol. Its IUPAC name is N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID66710579
Molecular FormulaC34H32N4O7S
Molecular Weight640.72 g/mol
Exact Mass640.20
IUPAC NameN-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(S(=O)(=O)C6CC6)cc5)CC4)nc3)cn2)cc1
InChIInChI=1S/C34H32N4O7S/c1-22(39)23-2-6-27(7-3-23)45-32-15-5-25(21-36-32)37-33(40)24-4-14-31(35-20-24)34(41)38-18-16-28(17-19-38)44-26-8-10-29(11-9-26)46(42,43)30-12-13-30/h2-11,14-15,20-21,28,30H,12-13,16-19H2,1H3,(H,37,40)
InChIKeyMAJDJUWLOQSGFM-UHFFFAOYSA-N
XLogP5.34
TPSA144.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.72
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 66710283
N-[6-(4-fluorophenoxy)-3-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710529
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 56651341
6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 66710581
(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 123261911
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 66710859
5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 58073146
2-[[6-[4-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]oxyphenoxy]pyridine-3-carbonyl]amino]benzoic acid
CID 20602689
[4-[1-[6-[[6-(4-fluorophenoxy)-3-pyridinyl]carbamoyl]pyridine-3-carbonyl]piperidine-4-carbonyl]phenyl]methanesulfinic acid
CID 174696706
4-[1-(4-benzamidophenoxy)carbonylpiperidin-4-yl]oxybenzoic acid;(4-benzamidophenyl) 4-(4-pyridin-2-yloxyphenoxy)piperidine-1-carboxylate
CID 161239986
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710469
N-[6-[4-(4-methylpiperidine-1-carbonyl)phenoxy]-3-pyridinyl]cyclohexanecarboxamide
CID 50831942

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 66710579) is N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide is CC(=O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(S(=O)(=O)C6CC6)cc5)CC4)nc3)cn2)cc1.
What is the InChIKey of N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is MAJDJUWLOQSGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O7S/c1-22(39)23-2-6-27(7-3-23)45-32-15-5-25(21-36-32)37-33(40)24-4-14-31(35-20-24)34(41)38-18-16-28(17-19-38)44-26-8-10-29(11-9-26)46(42,43)30-12-13-30/h2-11,14-15,20-21,28,30H,12-13,16-19H2,1H3,(H,37,40).
What are the key properties of N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 640.72 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylphenoxy)-3-pyridinyl]-6-[4-(4-cyclopropylsulfonylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).