3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea

C17H21N3O3 — CID 86841971

IUPAC3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCOc1cccc(CNC(=O)N(C)Cc2ccccn2)c1OC
InChIInChI=1S/C17H21N3O3/c1-20(12-14-8-4-5-10-18-14)17(21)19-11-13-7-6-9-15(22-2)16(13)23-3/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyTVIPVBWAJJESDB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.44
Rot. Bonds6

About 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea

3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 86841971) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
PubChem CID86841971
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCOc1cccc(CNC(=O)N(C)Cc2ccccn2)c1OC
InChIInChI=1S/C17H21N3O3/c1-20(12-14-8-4-5-10-18-14)17(21)19-11-13-7-6-9-15(22-2)16(13)23-3/h4-10H,11-12H2,1-3H3,(H,19,21)
InChIKeyTVIPVBWAJJESDB-UHFFFAOYSA-N
XLogP2.44
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea
CID 38147914

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea (CID 86841971) is 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea is COc1cccc(CNC(=O)N(C)Cc2ccccn2)c1OC.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is TVIPVBWAJJESDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20(12-14-8-4-5-10-18-14)17(21)19-11-13-7-6-9-15(22-2)16(13)23-3/h4-10H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 315.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 86841971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).