2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide

C22H26F2N2O2 — CID 70920768

IUPAC2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide
SMILESCc1cccc(C(O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2CCCC2)n1
InChIInChI=1S/C22H26F2N2O2/c1-14-5-4-8-19(25-14)22(28)20(11-16-9-17(23)13-18(24)10-16)26-21(27)12-15-6-2-3-7-15/h4-5,8-10,13,15,20,22,28H,2-3,6-7,11-12H2,1H3,(H,26,27)/t20-,22?/m0/s1
InChIKeyULYMFQFLOCPZDC-AIBWNMTMSA-N
MW388.46 g/mol
LogP4.01
Rot. Bonds7

About 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide

2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide (PubChem CID 70920768) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide
PubChem CID70920768
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide
SMILESCc1cccc(C(O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2CCCC2)n1
InChIInChI=1S/C22H26F2N2O2/c1-14-5-4-8-19(25-14)22(28)20(11-16-9-17(23)13-18(24)10-16)26-21(27)12-15-6-2-3-7-15/h4-5,8-10,13,15,20,22,28H,2-3,6-7,11-12H2,1H3,(H,26,27)/t20-,22?/m0/s1
InChIKeyULYMFQFLOCPZDC-AIBWNMTMSA-N
XLogP4.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
CID 63555756
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
tert-butyl N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[5-(2-phenylethyl)-2-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(3,5-difluorophenyl)-3-oxopropan-2-yl]carbamate
CID 158111641
2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide
CID 142242625
N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-1,4-dihydroxyhexan-2-yl]-3-cyclopentylpropanamide
CID 11350806
2-cyclopentyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51968745
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-fluorophenyl)methylamino]-3-hydroxybutan-2-yl]carbamic acid
CID 69445746
N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46069178
N-(1-chloro-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 114305487
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide
CID 91833208

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide (CID 70920768) is 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide is Cc1cccc(C(O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2CCCC2)n1.
What is the InChIKey of 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide?
The InChIKey is ULYMFQFLOCPZDC-AIBWNMTMSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-14-5-4-8-19(25-14)22(28)20(11-16-9-17(23)13-18(24)10-16)26-21(27)12-15-6-2-3-7-15/h4-5,8-10,13,15,20,22,28H,2-3,6-7,11-12H2,1H3,(H,26,27)/t20-,22?/m0/s1.
What are the key properties of 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide?
2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide has a molecular weight of 388.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(6-methyl-2-pyridinyl)propan-2-yl]acetamide is sourced from PubChem (CID 70920768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).