1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea

C14H16N3O2+ — CID 5078167

IUPAC1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(C)c[nH+]1
InChIInChI=1S/C14H15N3O2/c1-10-7-8-13(15-9-10)17-14(18)16-11-5-3-4-6-12(11)19-2/h3-9H,1-2H3,(H2,15,16,17,18)/p+1
InChIKeyBBJNHNUMDRBNBU-UHFFFAOYSA-O
MW258.30 g/mol
LogP2.46
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea

1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea (PubChem CID 5078167) has the molecular formula C14H16N3O2+ and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea
PubChem CID5078167
Molecular FormulaC14H16N3O2+
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(C)c[nH+]1
InChIInChI=1S/C14H15N3O2/c1-10-7-8-13(15-9-10)17-14(18)16-11-5-3-4-6-12(11)19-2/h3-9H,1-2H3,(H2,15,16,17,18)/p+1
InChIKeyBBJNHNUMDRBNBU-UHFFFAOYSA-O
XLogP2.46
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea (CID 5078167) is 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea is COc1ccccc1NC(=O)Nc1ccc(C)c[nH+]1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea?
The InChIKey is BBJNHNUMDRBNBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N3O2/c1-10-7-8-13(15-9-10)17-14(18)16-11-5-3-4-6-12(11)19-2/h3-9H,1-2H3,(H2,15,16,17,18)/p+1.
What are the key properties of 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea?
1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea has a molecular weight of 258.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea is sourced from PubChem (CID 5078167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).