2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide

C16H23N3O2 — CID 94025809

IUPAC2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(C[C@@H]1CCCO1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C16H23N3O2/c20-16(10-14-4-3-9-21-14)18-12-13-5-6-15(17-11-13)19-7-1-2-8-19/h5-6,11,14H,1-4,7-10,12H2,(H,18,20)/t14-/m0/s1
InChIKeyVKFFXQUEXBVPTK-AWEZNQCLSA-N
MW289.38 g/mol
LogP1.87
Rot. Bonds5

About 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide

2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 94025809) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID94025809
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(C[C@@H]1CCCO1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C16H23N3O2/c20-16(10-14-4-3-9-21-14)18-12-13-5-6-15(17-11-13)19-7-1-2-8-19/h5-6,11,14H,1-4,7-10,12H2,(H,18,20)/t14-/m0/s1
InChIKeyVKFFXQUEXBVPTK-AWEZNQCLSA-N
XLogP1.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
2-methyl-1-(oxolan-2-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111139023
2-(oxolan-2-ylmethylsulfanyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585692
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 100851233
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 87005367
4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
CID 97224310
2-methyl-1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138576
4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 37483127
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide
CID 47036071

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide (CID 94025809) is 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide is O=C(C[C@@H]1CCCO1)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is VKFFXQUEXBVPTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(10-14-4-3-9-21-14)18-12-13-5-6-15(17-11-13)19-7-1-2-8-19/h5-6,11,14H,1-4,7-10,12H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide?
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 94025809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).