1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea

C21H20FN3O3 — CID 3231748

IUPAC1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(C)cn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C21H20FN3O3/c1-14-10-18(24-21(27)23-17-8-3-4-9-19(17)28-2)20(26)25(12-14)13-15-6-5-7-16(22)11-15/h3-12H,13H2,1-2H3,(H2,23,24,27)
InChIKeyQMOQKKMNSXODBN-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.00
Rot. Bonds5

About 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea

1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea (PubChem CID 3231748) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
PubChem CID3231748
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cc(C)cn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C21H20FN3O3/c1-14-10-18(24-21(27)23-17-8-3-4-9-19(17)28-2)20(26)25(12-14)13-15-6-5-7-16(22)11-15/h3-12H,13H2,1-2H3,(H2,23,24,27)
InChIKeyQMOQKKMNSXODBN-UHFFFAOYSA-N
XLogP4.00
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea
CID 3231713
1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8671106
N-[1-[(4-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-2-methoxybenzamide
CID 3231731
N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-2-methoxyacetamide
CID 6488633
(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
CID 95599547
1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea
CID 79766487
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
1-(2,5-dimethoxyphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951135
1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759408
3-(3-fluorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]propanamide
CID 43052444
1-[1-[(2-bromophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3231735

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea (CID 3231748) is 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cc(C)cn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea?
The InChIKey is QMOQKKMNSXODBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-10-18(24-21(27)23-17-8-3-4-9-19(17)28-2)20(26)25(12-14)13-15-6-5-7-16(22)11-15/h3-12H,13H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea?
1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea has a molecular weight of 381.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 3231748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).