1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea

C20H25N3O4 — CID 118763888

IUPAC1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea
SMILESCOc1ccccc1Oc1ccc(NC(=O)NCCC2CCCOC2)cn1
InChIInChI=1S/C20H25N3O4/c1-25-17-6-2-3-7-18(17)27-19-9-8-16(13-22-19)23-20(24)21-11-10-15-5-4-12-26-14-15/h2-3,6-9,13,15H,4-5,10-12,14H2,1H3,(H2,21,23,24)
InChIKeyREZSZYBJTNZKKG-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.82
Rot. Bonds7

About 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea

1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea (PubChem CID 118763888) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea
PubChem CID118763888
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea
SMILESCOc1ccccc1Oc1ccc(NC(=O)NCCC2CCCOC2)cn1
InChIInChI=1S/C20H25N3O4/c1-25-17-6-2-3-7-18(17)27-19-9-8-16(13-22-19)23-20(24)21-11-10-15-5-4-12-26-14-15/h2-3,6-9,13,15H,4-5,10-12,14H2,1H3,(H2,21,23,24)
InChIKeyREZSZYBJTNZKKG-UHFFFAOYSA-N
XLogP3.82
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118777650
1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea
CID 125162716
1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118782410
2-methoxy-5-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]benzamide
CID 126435497
1-[2-(1-benzylpyrrolidin-3-yl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 118770726
1-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 125157500
1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878494
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
CID 125159828
acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide
CID 163341520
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea
CID 94652910

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea?
The IUPAC name of 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea (CID 118763888) is 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea?
The canonical SMILES for 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea is COc1ccccc1Oc1ccc(NC(=O)NCCC2CCCOC2)cn1.
What is the InChIKey of 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea?
The InChIKey is REZSZYBJTNZKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-17-6-2-3-7-18(17)27-19-9-8-16(13-22-19)23-20(24)21-11-10-15-5-4-12-26-14-15/h2-3,6-9,13,15H,4-5,10-12,14H2,1H3,(H2,21,23,24).
What are the key properties of 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea?
1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea has a molecular weight of 371.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea is sourced from PubChem (CID 118763888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).