4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide

C20H22FN3O2 — CID 37483127

IUPAC4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H22FN3O2/c21-17-6-4-16(5-7-17)18(25)8-10-20(26)23-14-15-3-9-19(22-13-15)24-11-1-2-12-24/h3-7,9,13H,1-2,8,10-12,14H2,(H,23,26)
InChIKeyYFBXFJAQWBHXRC-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.10
Rot. Bonds7

About 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide

4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide (PubChem CID 37483127) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
PubChem CID37483127
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H22FN3O2/c21-17-6-4-16(5-7-17)18(25)8-10-20(26)23-14-15-3-9-19(22-13-15)24-11-1-2-12-24/h3-7,9,13H,1-2,8,10-12,14H2,(H,23,26)
InChIKeyYFBXFJAQWBHXRC-UHFFFAOYSA-N
XLogP3.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399617
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-fluorophenoxy)propanamide
CID 55972764
1-[4-[(6-piperidin-1-yl-3-pyridinyl)methylamino]phenyl]butan-1-one
CID 68722266
N-[3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]-4-bromobenzamide
CID 55845967
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
CID 30832263
4-(4-acetylphenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38530939
4-chloro-N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butyl]benzamide
CID 37482931
4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide
CID 55735273
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide (CID 37483127) is 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide is O=C(CCC(=O)c1ccc(F)cc1)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is YFBXFJAQWBHXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-6-4-16(5-7-17)18(25)8-10-20(26)23-14-15-3-9-19(22-13-15)24-11-1-2-12-24/h3-7,9,13H,1-2,8,10-12,14H2,(H,23,26).
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide?
4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 355.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 37483127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).