1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea

C15H15N3O2 — CID 971154

IUPAC1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11(19)13-2-4-14(5-3-13)18-15(20)17-10-12-6-8-16-9-7-12/h2-9H,10H2,1H3,(H2,17,18,20)
InChIKeyQRQURRWDHAGTOU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.61
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea

1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 971154) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
PubChem CID971154
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11(19)13-2-4-14(5-3-13)18-15(20)17-10-12-6-8-16-9-7-12/h2-9H,10H2,1H3,(H2,17,18,20)
InChIKeyQRQURRWDHAGTOU-UHFFFAOYSA-N
XLogP2.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-acetylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947858
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114957408
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778558
N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
CID 164515186
CID 142402002
CID 142402002
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea (CID 971154) is 1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea is CC(=O)c1ccc(NC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is QRQURRWDHAGTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(19)13-2-4-14(5-3-13)18-15(20)17-10-12-6-8-16-9-7-12/h2-9H,10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea?
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 269.30 g/mol, XLogP of 2.61, 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-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 971154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).