3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea

C16H17N3O2 — CID 61346260

IUPAC3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(C)Cc2ccccn2)c1
InChIInChI=1S/C16H17N3O2/c1-12(20)13-6-5-8-14(10-13)18-16(21)19(2)11-15-7-3-4-9-17-15/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyJXUVUYCKIVSJLW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.95
Rot. Bonds4

About 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea

3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 61346260) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
PubChem CID61346260
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(C)Cc2ccccn2)c1
InChIInChI=1S/C16H17N3O2/c1-12(20)13-6-5-8-14(10-13)18-16(21)19(2)11-15-7-3-4-9-17-15/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyJXUVUYCKIVSJLW-UHFFFAOYSA-N
XLogP2.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
(2S)-2-(3-acetylphenoxy)-N-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 95040643
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
3-(3-acetylphenyl)-1-(2-bromoethyl)-1-methylurea
CID 106441584
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47490267
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776
4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide
CID 47493098
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-(3-methylsulfanylphenyl)-1,1-bis(pyridin-2-ylmethyl)urea
CID 23820633

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (CID 61346260) is 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea is CC(=O)c1cccc(NC(=O)N(C)Cc2ccccn2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is JXUVUYCKIVSJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(20)13-6-5-8-14(10-13)18-16(21)19(2)11-15-7-3-4-9-17-15/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 283.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 61346260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).