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

C23H28F2N4O2 — CID 54136823

IUPAC(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide
SMILESNc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CC(F)(F)C3)CC2)n1
InChIInChI=1S/C23H28F2N4O2/c24-22(25)13-17(14-22)23(31,16-5-2-1-3-6-16)21(30)28-18-9-11-29(12-10-18)15-19-7-4-8-20(26)27-19/h1-8,17-18,31H,9-15H2,(H2,26,27)(H,28,30)/t23-/m0/s1
InChIKeyNYHOHDUCVYKVPI-QHCPKHFHSA-N
MW430.50 g/mol
LogP2.68
Rot. Bonds6

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

(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide (PubChem CID 54136823) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide
PubChem CID54136823
Molecular FormulaC23H28F2N4O2
Molecular Weight430.50 g/mol
Exact Mass430.22
IUPAC Name(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide
SMILESNc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CC(F)(F)C3)CC2)n1
InChIInChI=1S/C23H28F2N4O2/c24-22(25)13-17(14-22)23(31,16-5-2-1-3-6-16)21(30)28-18-9-11-29(12-10-18)15-19-7-4-8-20(26)27-19/h1-8,17-18,31H,9-15H2,(H2,26,27)(H,28,30)/t23-/m0/s1
InChIKeyNYHOHDUCVYKVPI-QHCPKHFHSA-N
XLogP2.68
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide (CID 54136823) is (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide is Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CC(F)(F)C3)CC2)n1.
What is the InChIKey of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is NYHOHDUCVYKVPI-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c24-22(25)13-17(14-22)23(31,16-5-2-1-3-6-16)21(30)28-18-9-11-29(12-10-18)15-19-7-4-8-20(26)27-19/h1-8,17-18,31H,9-15H2,(H2,26,27)(H,28,30)/t23-/m0/s1.
What are the key properties of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide?
(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 430.50 g/mol, XLogP of 2.68, 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-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 54136823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).