N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide

C17H20FN3O3 — CID 167937454

IUPACN-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide
SMILESCCC(NCc1c(OC)cc[nH]c1=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O3/c1-3-14(17(23)21-12-6-4-11(18)5-7-12)20-10-13-15(24-2)8-9-19-16(13)22/h4-9,14,20H,3,10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyVRSITPJHYJHKDP-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.03
Rot. Bonds7

About N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide

N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide (PubChem CID 167937454) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide
PubChem CID167937454
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide
SMILESCCC(NCc1c(OC)cc[nH]c1=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O3/c1-3-14(17(23)21-12-6-4-11(18)5-7-12)20-10-13-15(24-2)8-9-19-16(13)22/h4-9,14,20H,3,10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyVRSITPJHYJHKDP-UHFFFAOYSA-N
XLogP2.03
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
CID 42926088
(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide
CID 37309732
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 93486662
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034114
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
1-(1-amino-1-sulfanylidenebutan-2-yl)-3-(4-fluorophenyl)urea
CID 61124797
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946916
2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide
CID 112982626
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide (CID 167937454) is N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide is CCC(NCc1c(OC)cc[nH]c1=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide?
The InChIKey is VRSITPJHYJHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-3-14(17(23)21-12-6-4-11(18)5-7-12)20-10-13-15(24-2)8-9-19-16(13)22/h4-9,14,20H,3,10H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide?
N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide has a molecular weight of 333.36 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4-methoxy-2-oxo-1H-pyridin-3-yl)methylamino]butanamide is sourced from PubChem (CID 167937454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).