N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide

C25H33N3O2 — CID 95817932

IUPACN-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccccc1Cc1cccc([C@H]2CCCN2CC(=O)NC2CCCCC2)n1
InChIInChI=1S/C25H33N3O2/c1-30-24-15-6-5-9-19(24)17-21-12-7-13-22(26-21)23-14-8-16-28(23)18-25(29)27-20-10-3-2-4-11-20/h5-7,9,12-13,15,20,23H,2-4,8,10-11,14,16-18H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyOEMJZXXOBVKUFA-HSZRJFAPSA-N
MW407.56 g/mol
LogP4.27
Rot. Bonds7

About N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide

N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide (PubChem CID 95817932) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
PubChem CID95817932
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCOc1ccccc1Cc1cccc([C@H]2CCCN2CC(=O)NC2CCCCC2)n1
InChIInChI=1S/C25H33N3O2/c1-30-24-15-6-5-9-19(24)17-21-12-7-13-22(26-21)23-14-8-16-28(23)18-25(29)27-20-10-3-2-4-11-20/h5-7,9,12-13,15,20,23H,2-4,8,10-11,14,16-18H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyOEMJZXXOBVKUFA-HSZRJFAPSA-N
XLogP4.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817931
2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818195
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 95817930
1-[4-[2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 110254712
2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817922
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 95817863
N-[[6-[(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124968382
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95817937
[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808984
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92612141
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide (CID 95817932) is N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide is COc1ccccc1Cc1cccc([C@H]2CCCN2CC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The InChIKey is OEMJZXXOBVKUFA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-24-15-6-5-9-19(24)17-21-12-7-13-22(26-21)23-14-8-16-28(23)18-25(29)27-20-10-3-2-4-11-20/h5-7,9,12-13,15,20,23H,2-4,8,10-11,14,16-18H2,1H3,(H,27,29)/t23-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide?
N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95817932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).