2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

C34H33ClN4O5 — CID 46103337

About 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 46103337) has the molecular formula C34H33ClN4O5 and a molecular weight of 613.11 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
• PubChem CID: 46103337
• Molecular Formula: C34H33ClN4O5
• Molecular Weight: 613.11 g/mol
• Exact Mass: 612.21
• IUPAC Name: 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
• SMILES: COc1ccc(NC(=O)C2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3Oc3ccc(Cl)cc3)CC2)cc1
• InChI: InChI=1S/C34H33ClN4O5/c1-43-27-15-11-26(12-16-27)37-31(40)24-17-20-39(21-18-24)34(42)30(22-23-6-3-2-4-7-23)38-32(41)29-8-5-19-36-33(29)44-28-13-9-25(35)10-14-28/h2-16,19,24,30H,17-18,20-22H2,1H3,(H,37,40)(H,38,41)/t30-/m1/s1
• InChIKey: ZBWKOBOMVSFCNP-SSEXGKCCSA-N
• XLogP: 5.75
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.11
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (CID 46103337) is 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3Oc3ccc(Cl)cc3)CC2)cc1.

What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The InChIKey is ZBWKOBOMVSFCNP-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H33ClN4O5/c1-43-27-15-11-26(12-16-27)37-31(40)24-17-20-39(21-18-24)34(42)30(22-23-6-3-2-4-7-23)38-32(41)29-8-5-19-36-33(29)44-28-13-9-25(35)10-14-28/h2-16,19,24,30H,17-18,20-22H2,1H3,(H,37,40)(H,38,41)/t30-/m1/s1.

What are the key properties of 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 613.11 g/mol, XLogP of 5.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[(2R)-1-[4-[(4-methoxyphenyl)carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46103337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).