(2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide

C24H30F2N4O3 — CID 10049899

IUPAC(2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
SMILESNc1nc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCC(F)(F)C3)CC2)ccc1O
InChIInChI=1S/C24H30F2N4O3/c25-23(26)11-8-17(14-23)24(33,16-4-2-1-3-5-16)22(32)29-18-9-12-30(13-10-18)15-19-6-7-20(31)21(27)28-19/h1-7,17-18,31,33H,8-15H2,(H2,27,28)(H,29,32)/t17?,24-/m0/s1
InChIKeyGMIZEVOHAZRDJZ-UCSBTNPJSA-N
MW460.53 g/mol
LogP2.77
Rot. Bonds6

About (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide

(2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide (PubChem CID 10049899) has the molecular formula C24H30F2N4O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
PubChem CID10049899
Molecular FormulaC24H30F2N4O3
Molecular Weight460.53 g/mol
Exact Mass460.23
IUPAC Name(2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
SMILESNc1nc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCC(F)(F)C3)CC2)ccc1O
InChIInChI=1S/C24H30F2N4O3/c25-23(26)11-8-17(14-23)24(33,16-4-2-1-3-5-16)22(32)29-18-9-12-30(13-10-18)15-19-6-7-20(31)21(27)28-19/h1-7,17-18,31,33H,8-15H2,(H2,27,28)(H,29,32)/t17?,24-/m0/s1
InChIKeyGMIZEVOHAZRDJZ-UCSBTNPJSA-N
XLogP2.77
TPSA111.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(1-(6-aminopyridin-2-ylmethyl)piperidin-4-yl)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 9846311
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(6-methyl-pyridin-2-ylmethyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10718110
2-(4-amino-3-fluoro-5-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 145983976
N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 19349126
(2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 44364335
N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(4,4-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
CID 19349073
N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclobutyl)-2-hydroxy-2-phenylacetamide
CID 19349133
N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 21967610
2-(3-amino-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25124355
2-(4-hydroxy-3,5-dimethylphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25125034
2-(3,5-difluoro-4-hydroxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25125035
(2R)-N-[1-(6-acetamido-4-methylpyridin-2-yl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 53667476

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide (CID 10049899) is (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide is Nc1nc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCC(F)(F)C3)CC2)ccc1O.
What is the InChIKey of (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is GMIZEVOHAZRDJZ-UCSBTNPJSA-N. The full InChI is InChI=1S/C24H30F2N4O3/c25-23(26)11-8-17(14-23)24(33,16-4-2-1-3-5-16)22(32)29-18-9-12-30(13-10-18)15-19-6-7-20(31)21(27)28-19/h1-7,17-18,31,33H,8-15H2,(H2,27,28)(H,29,32)/t17?,24-/m0/s1.
What are the key properties of (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
(2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 460.53 g/mol, XLogP of 2.77, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(6-amino-5-hydroxy-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10049899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).