1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea

C18H17N3O3 — CID 47041297

IUPAC1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
SMILESO=C(NCc1ccoc1)Nc1cccc(OCc2ccncc2)c1
InChIInChI=1S/C18H17N3O3/c22-18(20-11-15-6-9-23-12-15)21-16-2-1-3-17(10-16)24-13-14-4-7-19-8-5-14/h1-10,12H,11,13H2,(H2,20,21,22)
InChIKeyHYVQGOSVAKCLOS-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.58
Rot. Bonds6

About 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea

1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea (PubChem CID 47041297) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
PubChem CID47041297
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
SMILESO=C(NCc1ccoc1)Nc1cccc(OCc2ccncc2)c1
InChIInChI=1S/C18H17N3O3/c22-18(20-11-15-6-9-23-12-15)21-16-2-1-3-17(10-16)24-13-14-4-7-19-8-5-14/h1-10,12H,11,13H2,(H2,20,21,22)
InChIKeyHYVQGOSVAKCLOS-UHFFFAOYSA-N
XLogP3.58
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
1-[[3-(propan-2-ylamino)phenyl]methyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]urea
CID 167776675
1-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52522393
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52531734
1-[(2S)-2-(N-methylanilino)propyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52501543
1-(furan-3-ylmethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 47039430
N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86940328
methyl 3-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 110706370
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
CID 47219536
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea (CID 47041297) is 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea is O=C(NCc1ccoc1)Nc1cccc(OCc2ccncc2)c1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea?
The InChIKey is HYVQGOSVAKCLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-18(20-11-15-6-9-23-12-15)21-16-2-1-3-17(10-16)24-13-14-4-7-19-8-5-14/h1-10,12H,11,13H2,(H2,20,21,22).
What are the key properties of 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea?
1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea has a molecular weight of 323.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-[3-(pyridin-4-ylmethoxy)phenyl]urea is sourced from PubChem (CID 47041297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).