1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

C21H20N4O2 — CID 167894017

IUPAC1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESO=C(Nc1ccc(Oc2cccnc2)nc1)NC1CC1Cc1ccccc1
InChIInChI=1S/C21H20N4O2/c26-21(25-19-12-16(19)11-15-5-2-1-3-6-15)24-17-8-9-20(23-13-17)27-18-7-4-10-22-14-18/h1-10,13-14,16,19H,11-12H2,(H2,24,25,26)
InChIKeyZLQUBYFJINWFIL-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.02
Rot. Bonds6

About 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (PubChem CID 167894017) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
PubChem CID167894017
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESO=C(Nc1ccc(Oc2cccnc2)nc1)NC1CC1Cc1ccccc1
InChIInChI=1S/C21H20N4O2/c26-21(25-19-12-16(19)11-15-5-2-1-3-6-15)24-17-8-9-20(23-13-17)27-18-7-4-10-22-14-18/h1-10,13-14,16,19H,11-12H2,(H2,24,25,26)
InChIKeyZLQUBYFJINWFIL-UHFFFAOYSA-N
XLogP4.02
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 166256153
1-[6-(3-bromophenoxy)-3-pyridinyl]-3-(pyridin-3-ylmethyl)urea
CID 52836877
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea
CID 75529486
1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
CID 42878418
N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
CID 141468421
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 166188155
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea
CID 162819665
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 55743828
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
CID 63773250
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
N-(6-phenoxy-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119849176

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The IUPAC name of 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (CID 167894017) is 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The canonical SMILES for 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is O=C(Nc1ccc(Oc2cccnc2)nc1)NC1CC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The InChIKey is ZLQUBYFJINWFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-21(25-19-12-16(19)11-15-5-2-1-3-6-15)24-17-8-9-20(23-13-17)27-18-7-4-10-22-14-18/h1-10,13-14,16,19H,11-12H2,(H2,24,25,26).
What are the key properties of 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea has a molecular weight of 360.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is sourced from PubChem (CID 167894017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).