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

C24H30F2N4O2 — CID 10670961

IUPAC(2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
SMILESNc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1
InChIInChI=1S/C24H30F2N4O2/c25-23(26)11-8-18(14-23)24(32,17-4-2-1-3-5-17)22(31)29-20-9-12-30(13-10-20)16-21-7-6-19(27)15-28-21/h1-7,15,18,20,32H,8-14,16,27H2,(H,29,31)/t18-,24+/m1/s1
InChIKeyYPRMCONKNHLNEC-KOSHJBKYSA-N
MW444.53 g/mol
LogP3.07
Rot. Bonds6

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

(2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (PubChem CID 10670961) has the molecular formula C24H30F2N4O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is (2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
PubChem CID10670961
Molecular FormulaC24H30F2N4O2
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name(2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
SMILESNc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1
InChIInChI=1S/C24H30F2N4O2/c25-23(26)11-8-18(14-23)24(32,17-4-2-1-3-5-17)22(31)29-20-9-12-30(13-10-20)16-21-7-6-19(27)15-28-21/h1-7,15,18,20,32H,8-14,16,27H2,(H,29,31)/t18-,24+/m1/s1
InChIKeyYPRMCONKNHLNEC-KOSHJBKYSA-N
XLogP3.07
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (CID 10670961) is (2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1.
What is the InChIKey of (2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is YPRMCONKNHLNEC-KOSHJBKYSA-N. The full InChI is InChI=1S/C24H30F2N4O2/c25-23(26)11-8-18(14-23)24(32,17-4-2-1-3-5-17)22(31)29-20-9-12-30(13-10-20)16-21-7-6-19(27)15-28-21/h1-7,15,18,20,32H,8-14,16,27H2,(H,29,31)/t18-,24+/m1/s1.
What are the key properties of (2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
(2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 444.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(5-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10670961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).