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

C15H17N3O2 — CID 61346080

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCC(O)c1cccc(NC(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H17N3O2/c1-11(19)13-3-2-4-14(9-13)18-15(20)17-10-12-5-7-16-8-6-12/h2-9,11,19H,10H2,1H3,(H2,17,18,20)
InChIKeyKJRDJNYIRFLPDQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.46
Rot. Bonds4

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

1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 61346080) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID61346080
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCC(O)c1cccc(NC(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H17N3O2/c1-11(19)13-3-2-4-14(9-13)18-15(20)17-10-12-5-7-16-8-6-12/h2-9,11,19H,10H2,1H3,(H2,17,18,20)
InChIKeyKJRDJNYIRFLPDQ-UHFFFAOYSA-N
XLogP2.46
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61346078
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 55173709
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
3-amino-2-methyl-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]butanamide;dihydrochloride
CID 120503652
2-(3-fluorophenyl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]propanamide
CID 166214452
1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62841564
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
methyl 3-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 110706370
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61340343
4-amino-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]pentanamide;dihydrochloride
CID 120565299

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea (CID 61346080) is 1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea is CC(O)c1cccc(NC(=O)NCc2ccncc2)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is KJRDJNYIRFLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(19)13-3-2-4-14(9-13)18-15(20)17-10-12-5-7-16-8-6-12/h2-9,11,19H,10H2,1H3,(H2,17,18,20).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 61346080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).