1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea

C22H22ClN3O2 — CID 52946754

IUPAC1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2cc(C)cn(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C22H22ClN3O2/c1-3-16-7-6-9-18(12-16)24-22(28)25-20-11-15(2)13-26(21(20)27)14-17-8-4-5-10-19(17)23/h4-13H,3,14H2,1-2H3,(H2,24,25,28)
InChIKeySBGKINWXVOXWGX-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.06
Rot. Bonds5

About 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea

1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea (PubChem CID 52946754) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
PubChem CID52946754
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2cc(C)cn(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C22H22ClN3O2/c1-3-16-7-6-9-18(12-16)24-22(28)25-20-11-15(2)13-26(21(20)27)14-17-8-4-5-10-19(17)23/h4-13H,3,14H2,1-2H3,(H2,24,25,28)
InChIKeySBGKINWXVOXWGX-UHFFFAOYSA-N
XLogP5.06
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea (CID 52946754) is 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)Nc2cc(C)cn(Cc3ccccc3Cl)c2=O)c1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The InChIKey is SBGKINWXVOXWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-3-16-7-6-9-18(12-16)24-22(28)25-20-11-15(2)13-26(21(20)27)14-17-8-4-5-10-19(17)23/h4-13H,3,14H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea has a molecular weight of 395.89 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea is sourced from PubChem (CID 52946754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).