4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide

C17H17FN2O3 — CID 71984441

IUPAC4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide
SMILESCOc1ccncc1NC(=O)CC(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O3/c1-11(17(22)12-4-3-5-13(18)9-12)8-16(21)20-14-10-19-7-6-15(14)23-2/h3-7,9-11H,8H2,1-2H3,(H,20,21)
InChIKeyWHKAHVFIRLIAQG-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.08
Rot. Bonds6

About 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide

4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide (PubChem CID 71984441) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide
PubChem CID71984441
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide
SMILESCOc1ccncc1NC(=O)CC(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O3/c1-11(17(22)12-4-3-5-13(18)9-12)8-16(21)20-14-10-19-7-6-15(14)23-2/h3-7,9-11H,8H2,1-2H3,(H,20,21)
InChIKeyWHKAHVFIRLIAQG-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3-pyridinyl)-3-methylbutanamide
CID 176872995
2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]amino]acetic acid
CID 119350223
4-amino-N-(4-methoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 120565135
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 95904870
4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120832487
N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
CID 119626886
N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 120654075
4-(4-bromophenyl)-N-(4-methoxy-3-pyridinyl)-4-oxobutanamide
CID 60608660
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide?
The IUPAC name of 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide (CID 71984441) is 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide is COc1ccncc1NC(=O)CC(C)C(=O)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide?
The InChIKey is WHKAHVFIRLIAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(17(22)12-4-3-5-13(18)9-12)8-16(21)20-14-10-19-7-6-15(14)23-2/h3-7,9-11H,8H2,1-2H3,(H,20,21).
What are the key properties of 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide?
4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide has a molecular weight of 316.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-3-methyl-4-oxobutanamide is sourced from PubChem (CID 71984441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).