1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea

C14H17N3O3 — CID 111486871

IUPAC1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccncc2)o1
InChIInChI=1S/C14H17N3O3/c1-10-3-4-12(20-10)14(2,19)9-16-13(18)17-11-5-7-15-8-6-11/h3-8,19H,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyDZTUPDLUAASOCL-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea (PubChem CID 111486871) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
PubChem CID111486871
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccncc2)o1
InChIInChI=1S/C14H17N3O3/c1-10-3-4-12(20-10)14(2,19)9-16-13(18)17-11-5-7-15-8-6-11/h3-8,19H,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyDZTUPDLUAASOCL-UHFFFAOYSA-N
XLogP2.01
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
CID 111475072
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111474627
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472987
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide
CID 111490839
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 111474702
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 167773743

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea (CID 111486871) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea is Cc1ccc(C(C)(O)CNC(=O)Nc2ccncc2)o1.
What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea?
The InChIKey is DZTUPDLUAASOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-3-4-12(20-10)14(2,19)9-16-13(18)17-11-5-7-15-8-6-11/h3-8,19H,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea?
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea has a molecular weight of 275.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 111486871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).