1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea

C17H17FN4O2 — CID 124623266

IUPAC1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H17FN4O2/c18-13-5-3-12(4-6-13)11-22-9-7-15(16(22)23)21-17(24)20-14-2-1-8-19-10-14/h1-6,8,10,15H,7,9,11H2,(H2,20,21,24)/t15-/m0/s1
InChIKeyBYKFOATXGBRLEP-HNNXBMFYSA-N
MW328.35 g/mol
LogP2.14
Rot. Bonds4

About 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea

1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea (PubChem CID 124623266) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
PubChem CID124623266
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H17FN4O2/c18-13-5-3-12(4-6-13)11-22-9-7-15(16(22)23)21-17(24)20-14-2-1-8-19-10-14/h1-6,8,10,15H,7,9,11H2,(H2,20,21,24)/t15-/m0/s1
InChIKeyBYKFOATXGBRLEP-HNNXBMFYSA-N
XLogP2.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 40921983
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea
CID 56835679
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 124734504
3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411
1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea
CID 119049842
2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide
CID 141007629
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea (CID 124623266) is 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea is O=C(Nc1cccnc1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea?
The InChIKey is BYKFOATXGBRLEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-13-5-3-12(4-6-13)11-22-9-7-15(16(22)23)21-17(24)20-14-2-1-8-19-10-14/h1-6,8,10,15H,7,9,11H2,(H2,20,21,24)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea?
1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea has a molecular weight of 328.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 124623266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).