(2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide

C24H29ClF2N4O2 — CID 54314105

About (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide

(2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (PubChem CID 54314105) has the molecular formula C24H29ClF2N4O2 and a molecular weight of 478.97 g/mol. Its IUPAC name is (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
• PubChem CID: 54314105
• Molecular Formula: C24H29ClF2N4O2
• Molecular Weight: 478.97 g/mol
• Exact Mass: 478.19
• IUPAC Name: (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
• SMILES: Nc1cc(Cl)cc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
• InChI: InChI=1S/C24H29ClF2N4O2/c25-18-12-20(29-21(28)13-18)15-31-10-7-19(8-11-31)30-22(32)24(33,16-4-2-1-3-5-16)17-6-9-23(26,27)14-17/h1-5,12-13,17,19,33H,6-11,14-15H2,(H2,28,29)(H,30,32)/t17-,24+/m1/s1
• InChIKey: SMYGAQBHAVQEEB-OSPHWJPCSA-N
• XLogP: 3.72
• TPSA: 91.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.97
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?

The IUPAC name of (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (CID 54314105) is (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.

What is the SMILES notation for (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?

The canonical SMILES for (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is Nc1cc(Cl)cc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1.

What is the InChIKey of (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?

The InChIKey is SMYGAQBHAVQEEB-OSPHWJPCSA-N. The full InChI is InChI=1S/C24H29ClF2N4O2/c25-18-12-20(29-21(28)13-18)15-31-10-7-19(8-11-31)30-22(32)24(33,16-4-2-1-3-5-16)17-6-9-23(26,27)14-17/h1-5,12-13,17,19,33H,6-11,14-15H2,(H2,28,29)(H,30,32)/t17-,24+/m1/s1.

What are the key properties of (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?

(2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 478.97 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 54314105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).