2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide

C24H31N3O — CID 95817930

IUPAC2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
SMILESO=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)NC1CCCCC1
InChIInChI=1S/C24H31N3O/c28-24(26-20-11-5-2-6-12-20)18-27-16-8-15-23(27)22-14-7-13-21(25-22)17-19-9-3-1-4-10-19/h1,3-4,7,9-10,13-14,20,23H,2,5-6,8,11-12,15-18H2,(H,26,28)/t23-/m1/s1
InChIKeyMBHVNFKSCKRBST-HSZRJFAPSA-N
MW377.53 g/mol
LogP4.26
Rot. Bonds6

About 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide

2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide (PubChem CID 95817930) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
PubChem CID95817930
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
SMILESO=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)NC1CCCCC1
InChIInChI=1S/C24H31N3O/c28-24(26-20-11-5-2-6-12-20)18-27-16-8-15-23(27)22-14-7-13-21(25-22)17-19-9-3-1-4-10-19/h1,3-4,7,9-10,13-14,20,23H,2,5-6,8,11-12,15-18H2,(H,26,28)/t23-/m1/s1
InChIKeyMBHVNFKSCKRBST-HSZRJFAPSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817932
N-cyclohexyl-2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817931
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
N,N-dimethyl-2-[(2R)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818189
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 95817863
2-[(2R)-2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818198
N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085118
N,N-dimethyl-2-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818200
N,N-dimethyl-2-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818201

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide (CID 95817930) is 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide is O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)NC1CCCCC1.
What is the InChIKey of 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide?
The InChIKey is MBHVNFKSCKRBST-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31N3O/c28-24(26-20-11-5-2-6-12-20)18-27-16-8-15-23(27)22-14-7-13-21(25-22)17-19-9-3-1-4-10-19/h1,3-4,7,9-10,13-14,20,23H,2,5-6,8,11-12,15-18H2,(H,26,28)/t23-/m1/s1.
What are the key properties of 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide?
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide has a molecular weight of 377.53 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 95817930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).