1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea

C13H15N3O3 — CID 111473834

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
SMILESCC(O)(CNC(=O)Nc1cccnc1)c1ccco1
InChIInChI=1S/C13H15N3O3/c1-13(18,11-5-3-7-19-11)9-15-12(17)16-10-4-2-6-14-8-10/h2-8,18H,9H2,1H3,(H2,15,16,17)
InChIKeyMCMFURRFPCQDKZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea (PubChem CID 111473834) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
PubChem CID111473834
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
SMILESCC(O)(CNC(=O)Nc1cccnc1)c1ccco1
InChIInChI=1S/C13H15N3O3/c1-13(18,11-5-3-7-19-11)9-15-12(17)16-10-4-2-6-14-8-10/h2-8,18H,9H2,1H3,(H2,15,16,17)
InChIKeyMCMFURRFPCQDKZ-UHFFFAOYSA-N
XLogP1.70
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 84584978
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 111473250
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
CID 111481964
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
CID 111119402
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea (CID 111473834) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea is CC(O)(CNC(=O)Nc1cccnc1)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea?
The InChIKey is MCMFURRFPCQDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-13(18,11-5-3-7-19-11)9-15-12(17)16-10-4-2-6-14-8-10/h2-8,18H,9H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea has a molecular weight of 261.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 111473834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).