6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide

C30H28ClN3O2 — CID 10128252

IUPAC6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)nc1OCc1ccccc1
InChIInChI=1S/C30H28ClN3O2/c31-25-16-14-24(15-17-25)28-26(23-12-6-2-7-13-23)20-27(29(35)33-34-18-8-3-9-19-34)30(32-28)36-21-22-10-4-1-5-11-22/h1-2,4-7,10-17,20H,3,8-9,18-19,21H2,(H,33,35)
InChIKeyRDHXJIZOOFBKSO-UHFFFAOYSA-N
MW498.03 g/mol
LogP6.78
Rot. Bonds7

About 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide

6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 10128252) has the molecular formula C30H28ClN3O2 and a molecular weight of 498.03 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide
PubChem CID10128252
Molecular FormulaC30H28ClN3O2
Molecular Weight498.03 g/mol
Exact Mass497.19
IUPAC Name6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)nc1OCc1ccccc1
InChIInChI=1S/C30H28ClN3O2/c31-25-16-14-24(15-17-25)28-26(23-12-6-2-7-13-23)20-27(29(35)33-34-18-8-3-9-19-34)30(32-28)36-21-22-10-4-1-5-11-22/h1-2,4-7,10-17,20H,3,8-9,18-19,21H2,(H,33,35)
InChIKeyRDHXJIZOOFBKSO-UHFFFAOYSA-N
XLogP6.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-N-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 9083928
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-ethylpyridine-3-carboxamide
CID 10311846
[5,6-bis(4-chlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazin-2-yl] butyl carbonate
CID 69142592
6-benzyl-5-(4-chlorophenyl)-1,1-dioxo-N-piperidin-1-yl-1,2,6-thiadiazine-3-carboxamide
CID 16666297
2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)-N-piperidin-1-ylimidazole-4-carboxamide;ethanesulfonic acid
CID 16667170
benzyl N-piperidin-1-ylcarbamate
CID 3770567
5-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 11952022
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl] N-piperidin-1-ylcarbamate
CID 69335868
2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide
CID 59363248
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727
2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide
CID 9271763

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide (CID 10128252) is 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide is O=C(NN1CCCCC1)c1cc(-c2ccccc2)c(-c2ccc(Cl)cc2)nc1OCc1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is RDHXJIZOOFBKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O2/c31-25-16-14-24(15-17-25)28-26(23-12-6-2-7-13-23)20-27(29(35)33-34-18-8-3-9-19-34)30(32-28)36-21-22-10-4-1-5-11-22/h1-2,4-7,10-17,20H,3,8-9,18-19,21H2,(H,33,35).
What are the key properties of 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide?
6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 498.03 g/mol, XLogP of 6.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-phenyl-2-phenylmethoxy-N-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 10128252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).