N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide

C17H24ClN3O — CID 95576835

IUPACN-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1C1CCCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H24ClN3O/c18-14-8-9-16(19-11-14)20-17(22)12-21-10-4-7-15(21)13-5-2-1-3-6-13/h8-9,11,13,15H,1-7,10,12H2,(H,19,20,22)/t15-/m0/s1
InChIKeyZDKBBAHFDXOFBD-HNNXBMFYSA-N
MW321.85 g/mol
LogP3.72
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide

N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide (PubChem CID 95576835) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide
PubChem CID95576835
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1C1CCCCC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H24ClN3O/c18-14-8-9-16(19-11-14)20-17(22)12-21-10-4-7-15(21)13-5-2-1-3-6-13/h8-9,11,13,15H,1-7,10,12H2,(H,19,20,22)/t15-/m0/s1
InChIKeyZDKBBAHFDXOFBD-HNNXBMFYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,4-dichlorophenyl)acetamide
CID 11931116
N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 56780407
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 11931084
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124754090
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 97008716
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 73144060
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 8686385
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 11930988
N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-bromophenyl)acetamide
CID 11931200

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide (CID 95576835) is N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@H]1C1CCCCC1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide?
The InChIKey is ZDKBBAHFDXOFBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-14-8-9-16(19-11-14)20-17(22)12-21-10-4-7-15(21)13-5-2-1-3-6-13/h8-9,11,13,15H,1-7,10,12H2,(H,19,20,22)/t15-/m0/s1.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide has a molecular weight of 321.85 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(2S)-2-cyclohexylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95576835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).