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

C24H30F2N4O2 — CID 54044463

IUPAC(2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
SMILESCc1cc(N)nc(N2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
InChIInChI=1S/C24H30F2N4O2/c1-16-13-20(27)29-21(14-16)30-11-8-19(9-12-30)28-22(31)24(32,17-5-3-2-4-6-17)18-7-10-23(25,26)15-18/h2-6,13-14,18-19,32H,7-12,15H2,1H3,(H2,27,29)(H,28,31)/t18-,24+/m1/s1
InChIKeyLOOQWAGETRBTHI-KOSHJBKYSA-N
MW444.53 g/mol
LogP3.38
Rot. Bonds5

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

(2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (PubChem CID 54044463) has the molecular formula C24H30F2N4O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is (2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
PubChem CID54044463
Molecular FormulaC24H30F2N4O2
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name(2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
SMILESCc1cc(N)nc(N2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
InChIInChI=1S/C24H30F2N4O2/c1-16-13-20(27)29-21(14-16)30-11-8-19(9-12-30)28-22(31)24(32,17-5-3-2-4-6-17)18-7-10-23(25,26)15-18/h2-6,13-14,18-19,32H,7-12,15H2,1H3,(H2,27,29)(H,28,31)/t18-,24+/m1/s1
InChIKeyLOOQWAGETRBTHI-KOSHJBKYSA-N
XLogP3.38
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.38
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-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (CID 54044463) is (2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is Cc1cc(N)nc(N2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1.
What is the InChIKey of (2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is LOOQWAGETRBTHI-KOSHJBKYSA-N. The full InChI is InChI=1S/C24H30F2N4O2/c1-16-13-20(27)29-21(14-16)30-11-8-19(9-12-30)28-22(31)24(32,17-5-3-2-4-6-17)18-7-10-23(25,26)15-18/h2-6,13-14,18-19,32H,7-12,15H2,1H3,(H2,27,29)(H,28,31)/t18-,24+/m1/s1.
What are the key properties of (2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
(2R)-N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 444.53 g/mol, XLogP of 3.38, 5 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-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 54044463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).