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

C12H13N3O3 — CID 110896235

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea
SMILESO=C(NCC(O)c1ccco1)Nc1ccccn1
InChIInChI=1S/C12H13N3O3/c16-9(10-4-3-7-18-10)8-14-12(17)15-11-5-1-2-6-13-11/h1-7,9,16H,8H2,(H2,13,14,15,17)
InChIKeyBPRHKGBVINCGOK-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.53
Rot. Bonds4

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

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea (PubChem CID 110896235) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea
PubChem CID110896235
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea
SMILESO=C(NCC(O)c1ccco1)Nc1ccccn1
InChIInChI=1S/C12H13N3O3/c16-9(10-4-3-7-18-10)8-14-12(17)15-11-5-1-2-6-13-11/h1-7,9,16H,8H2,(H2,13,14,15,17)
InChIKeyBPRHKGBVINCGOK-UHFFFAOYSA-N
XLogP1.53
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95771338
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea
CID 99634846
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111475859
1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110896237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea (CID 110896235) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea is O=C(NCC(O)c1ccco1)Nc1ccccn1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea?
The InChIKey is BPRHKGBVINCGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-9(10-4-3-7-18-10)8-14-12(17)15-11-5-1-2-6-13-11/h1-7,9,16H,8H2,(H2,13,14,15,17).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea has a molecular weight of 247.25 g/mol, XLogP of 1.53, 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-hydroxyethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 110896235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).