1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea

C16H17N3O2 — CID 114957408

IUPAC1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCc2cnccc2C)cc1
InChIInChI=1S/C16H17N3O2/c1-11-7-8-17-9-14(11)10-18-16(21)19-15-5-3-13(4-6-15)12(2)20/h3-9H,10H2,1-2H3,(H2,18,19,21)
InChIKeySQFQAVUDOGBZJT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea

1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea (PubChem CID 114957408) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
PubChem CID114957408
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCc2cnccc2C)cc1
InChIInChI=1S/C16H17N3O2/c1-11-7-8-17-9-14(11)10-18-16(21)19-15-5-3-13(4-6-15)12(2)20/h3-9H,10H2,1-2H3,(H2,18,19,21)
InChIKeySQFQAVUDOGBZJT-UHFFFAOYSA-N
XLogP2.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114956458
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea
CID 104580537
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
2-methyl-3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114957107
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea
CID 67060654
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792
1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea
CID 71556387
N-[(4-methyl-3-pyridinyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107036589

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea (CID 114957408) is 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea is CC(=O)c1ccc(NC(=O)NCc2cnccc2C)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea?
The InChIKey is SQFQAVUDOGBZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-7-8-17-9-14(11)10-18-16(21)19-15-5-3-13(4-6-15)12(2)20/h3-9H,10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea?
1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea has a molecular weight of 283.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 114957408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).