N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide

C18H22N2O2 — CID 86984792

IUPACN-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide
SMILESCCCN(Cc1ccccc1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C18H22N2O2/c1-2-12-20(15-16-8-4-3-5-9-16)18(22)11-14-19-13-7-6-10-17(19)21/h3-10,13H,2,11-12,14-15H2,1H3
InChIKeyXDFUNGIYRACPJU-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.68
Rot. Bonds7

About N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide

N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide (PubChem CID 86984792) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide
PubChem CID86984792
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide
SMILESCCCN(Cc1ccccc1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C18H22N2O2/c1-2-12-20(15-16-8-4-3-5-9-16)18(22)11-14-19-13-7-6-10-17(19)21/h3-10,13H,2,11-12,14-15H2,1H3
InChIKeyXDFUNGIYRACPJU-UHFFFAOYSA-N
XLogP2.68
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 110888429
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide
CID 42764431
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylhexanamide
CID 4542851
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid
CID 60832892
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
CID 134028397
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 43290807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide?
The IUPAC name of N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide (CID 86984792) is N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide?
The canonical SMILES for N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide is CCCN(Cc1ccccc1)C(=O)CCn1ccccc1=O.
What is the InChIKey of N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide?
The InChIKey is XDFUNGIYRACPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-12-20(15-16-8-4-3-5-9-16)18(22)11-14-19-13-7-6-10-17(19)21/h3-10,13H,2,11-12,14-15H2,1H3.
What are the key properties of N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide?
N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide is sourced from PubChem (CID 86984792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).