1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea

C16H19N3O2 — CID 86788660

IUPAC1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCOCc1ccccc1CNC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H19N3O2/c1-12-7-8-15(17-9-12)19-16(20)18-10-13-5-3-4-6-14(13)11-21-2/h3-9H,10-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyACFAGKZWSFDPRP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.86
Rot. Bonds5

About 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea

1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 86788660) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID86788660
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCOCc1ccccc1CNC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C16H19N3O2/c1-12-7-8-15(17-9-12)19-16(20)18-10-13-5-3-4-6-14(13)11-21-2/h3-9H,10-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyACFAGKZWSFDPRP-UHFFFAOYSA-N
XLogP2.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
1-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-3-pyridinyl)urea
CID 75514282
1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108878565
2-(2,5-dimethylphenoxy)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065540
1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea (CID 86788660) is 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea is COCc1ccccc1CNC(=O)Nc1ccc(C)cn1.
What is the InChIKey of 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is ACFAGKZWSFDPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-7-8-15(17-9-12)19-16(20)18-10-13-5-3-4-6-14(13)11-21-2/h3-9H,10-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea?
1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 86788660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).