(2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide

C17H27N3O — CID 100756925

IUPAC(2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide
SMILESCCC[C@H](C(=O)NC[C@H]1CCCN1CC)c1ccccn1
InChIInChI=1S/C17H27N3O/c1-3-8-15(16-10-5-6-11-18-16)17(21)19-13-14-9-7-12-20(14)4-2/h5-6,10-11,14-15H,3-4,7-9,12-13H2,1-2H3,(H,19,21)/t14-,15+/m1/s1
InChIKeyIXHZDLVPTWYMTB-CABCVRRESA-N
MW289.42 g/mol
LogP2.57
Rot. Bonds7

About (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide

(2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide (PubChem CID 100756925) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide
PubChem CID100756925
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide
SMILESCCC[C@H](C(=O)NC[C@H]1CCCN1CC)c1ccccn1
InChIInChI=1S/C17H27N3O/c1-3-8-15(16-10-5-6-11-18-16)17(21)19-13-14-9-7-12-20(14)4-2/h5-6,10-11,14-15H,3-4,7-9,12-13H2,1-2H3,(H,19,21)/t14-,15+/m1/s1
InChIKeyIXHZDLVPTWYMTB-CABCVRRESA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 96516588
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 43195854
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
CID 124878513
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62165371
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 40900290
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266729
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71709339

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide?
The IUPAC name of (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide (CID 100756925) is (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide.
What is the SMILES notation for (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide?
The canonical SMILES for (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide is CCC[C@H](C(=O)NC[C@H]1CCCN1CC)c1ccccn1.
What is the InChIKey of (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide?
The InChIKey is IXHZDLVPTWYMTB-CABCVRRESA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-8-15(16-10-5-6-11-18-16)17(21)19-13-14-9-7-12-20(14)4-2/h5-6,10-11,14-15H,3-4,7-9,12-13H2,1-2H3,(H,19,21)/t14-,15+/m1/s1.
What are the key properties of (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide?
(2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide has a molecular weight of 289.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide is sourced from PubChem (CID 100756925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).