1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea

C15H15N3O2 — CID 84521860

IUPAC1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccnc(C)c2)cc1
InChIInChI=1S/C15H15N3O2/c1-10-9-14(7-8-16-10)18-15(20)17-13-5-3-12(4-6-13)11(2)19/h3-9H,1-2H3,(H2,16,17,18,20)
InChIKeyCHLAMKSCDXHQIB-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.24
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea

1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea (PubChem CID 84521860) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
PubChem CID84521860
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccnc(C)c2)cc1
InChIInChI=1S/C15H15N3O2/c1-10-9-14(7-8-16-10)18-15(20)17-13-5-3-12(4-6-13)11(2)19/h3-9H,1-2H3,(H2,16,17,18,20)
InChIKeyCHLAMKSCDXHQIB-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 86818366
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157044269
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980
2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
1-(4-acetylphenyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895413
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090
4-[(2-methyl-4-pyridinyl)amino]benzamide
CID 90134463
1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64782791
3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid
CID 122088409
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea (CID 84521860) is 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea is CC(=O)c1ccc(NC(=O)Nc2ccnc(C)c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea?
The InChIKey is CHLAMKSCDXHQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-9-14(7-8-16-10)18-15(20)17-13-5-3-12(4-6-13)11(2)19/h3-9H,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea?
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea has a molecular weight of 269.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea is sourced from PubChem (CID 84521860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).