3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide

C16H17FN2O2 — CID 110730389

IUPAC3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
SMILESCn1cccc(CNC(=O)CCc2cccc(F)c2)c1=O
InChIInChI=1S/C16H17FN2O2/c1-19-9-3-5-13(16(19)21)11-18-15(20)8-7-12-4-2-6-14(17)10-12/h2-6,9-10H,7-8,11H2,1H3,(H,18,20)
InChIKeyPZVQOHRURCTWEP-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.77
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide

3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide (PubChem CID 110730389) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
PubChem CID110730389
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
SMILESCn1cccc(CNC(=O)CCc2cccc(F)c2)c1=O
InChIInChI=1S/C16H17FN2O2/c1-19-9-3-5-13(16(19)21)11-18-15(20)8-7-12-4-2-6-14(17)10-12/h2-6,9-10H,7-8,11H2,1H3,(H,18,20)
InChIKeyPZVQOHRURCTWEP-UHFFFAOYSA-N
XLogP1.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-phenylacetamide
CID 110730343
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]pentanamide
CID 110730308
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 110730380
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122561459
3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730354
3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
CID 60589527
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide
CID 110730402
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide
CID 87043554
3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110414954
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
3-(3-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110783584

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide (CID 110730389) is 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide is Cn1cccc(CNC(=O)CCc2cccc(F)c2)c1=O.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide?
The InChIKey is PZVQOHRURCTWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19-9-3-5-13(16(19)21)11-18-15(20)8-7-12-4-2-6-14(17)10-12/h2-6,9-10H,7-8,11H2,1H3,(H,18,20).
What are the key properties of 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide?
3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide has a molecular weight of 288.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 110730389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).