1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea

C14H17N3O3 — CID 47126067

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
SMILESO=C(NCCCOCc1ccco1)Nc1cccnc1
InChIInChI=1S/C14H17N3O3/c18-14(17-12-4-1-6-15-10-12)16-7-3-8-19-11-13-5-2-9-20-13/h1-2,4-6,9-10H,3,7-8,11H2,(H2,16,17,18)
InChIKeyUKQRTQQPLOGVHP-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.40
Rot. Bonds7

About 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea

1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea (PubChem CID 47126067) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
PubChem CID47126067
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
SMILESO=C(NCCCOCc1ccco1)Nc1cccnc1
InChIInChI=1S/C14H17N3O3/c18-14(17-12-4-1-6-15-10-12)16-7-3-8-19-11-13-5-2-9-20-13/h1-2,4-6,9-10H,3,7-8,11H2,(H2,16,17,18)
InChIKeyUKQRTQQPLOGVHP-UHFFFAOYSA-N
XLogP2.40
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040367
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
1-[3-(1,3-dithian-2-yl)phenyl]-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 55699175
1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 51115154
1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 47050444
N-[3-(furan-2-ylmethoxy)propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55853611
3-(furan-2-ylmethoxy)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43205758
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
1-[1-(furan-2-yl)propan-2-yl]-3-pyridin-3-ylurea
CID 47172008
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea (CID 47126067) is 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea is O=C(NCCCOCc1ccco1)Nc1cccnc1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea?
The InChIKey is UKQRTQQPLOGVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(17-12-4-1-6-15-10-12)16-7-3-8-19-11-13-5-2-9-20-13/h1-2,4-6,9-10H,3,7-8,11H2,(H2,16,17,18).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea?
1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea has a molecular weight of 275.31 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 47126067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).