N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide

C18H20N2O3 — CID 97053772

IUPACN-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H20N2O3/c21-17(12-15-8-5-11-23-15)19-16-9-4-10-20(18(16)22)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,19,21)/t15-/m0/s1
InChIKeyKKRDWCKJUCRXEK-HNNXBMFYSA-N
MW312.37 g/mol
LogP2.40
Rot. Bonds5

About N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide

N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 97053772) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID97053772
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H20N2O3/c21-17(12-15-8-5-11-23-15)19-16-9-4-10-20(18(16)22)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,19,21)/t15-/m0/s1
InChIKeyKKRDWCKJUCRXEK-HNNXBMFYSA-N
XLogP2.40
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 95934905
N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 114304745
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide
CID 139012958
2-(cyclopropylmethylamino)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811074
N-(1-benzyl-2-oxo-3-pyridinyl)morpholine-3-carboxamide
CID 119811008
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71921768
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811076
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160499
N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 99696808
9-amino-N-(1-benzyl-2-oxo-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992316
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110422651

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide (CID 97053772) is N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide is O=C(C[C@@H]1CCCO1)Nc1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is KKRDWCKJUCRXEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(12-15-8-5-11-23-15)19-16-9-4-10-20(18(16)22)13-14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,19,21)/t15-/m0/s1.
What are the key properties of N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide?
N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 97053772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).