(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide

C17H19FN2O2 — CID 97317190

IUPAC(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide
SMILESC[C@@H](CC(=O)NCCn1ccccc1=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c1-13(14-5-4-6-15(18)12-14)11-16(21)19-8-10-20-9-3-2-7-17(20)22/h2-7,9,12-13H,8,10-11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyKGJCVGBMZQGBBP-ZDUSSCGKSA-N
MW302.35 g/mol
LogP2.30
Rot. Bonds6

About (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide

(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide (PubChem CID 97317190) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide
PubChem CID97317190
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide
SMILESC[C@@H](CC(=O)NCCn1ccccc1=O)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c1-13(14-5-4-6-15(18)12-14)11-16(21)19-8-10-20-9-3-2-7-17(20)22/h2-7,9,12-13H,8,10-11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyKGJCVGBMZQGBBP-ZDUSSCGKSA-N
XLogP2.30
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
(2S)-2-[[2-[3-(3-fluorophenyl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695191
(2S)-2-[[(3R)-3-(3-fluorophenyl)butanoyl]amino]-3-methylbutanoic acid
CID 97323884
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide
CID 166216968
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
CID 86961979
4-[3-(3-fluorophenyl)butanoylamino]-4-phenylbutanoic acid
CID 119200963
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide?
The IUPAC name of (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide (CID 97317190) is (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide?
The canonical SMILES for (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide is C[C@@H](CC(=O)NCCn1ccccc1=O)c1cccc(F)c1.
What is the InChIKey of (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide?
The InChIKey is KGJCVGBMZQGBBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-13(14-5-4-6-15(18)12-14)11-16(21)19-8-10-20-9-3-2-7-17(20)22/h2-7,9,12-13H,8,10-11H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide?
(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide has a molecular weight of 302.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide is sourced from PubChem (CID 97317190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).