1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea

C15H17N3O2 — CID 61346275

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(C(C)O)c2)nc1
InChIInChI=1S/C15H17N3O2/c1-10-6-7-14(16-9-10)18-15(20)17-13-5-3-4-12(8-13)11(2)19/h3-9,11,19H,1-2H3,(H2,16,17,18,20)
InChIKeyBSLMTPLKEIJKSH-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.09
Rot. Bonds3

About 1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea

1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 61346275) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID61346275
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(C(C)O)c2)nc1
InChIInChI=1S/C15H17N3O2/c1-10-6-7-14(16-9-10)18-15(20)17-13-5-3-4-12(8-13)11(2)19/h3-9,11,19H,1-2H3,(H2,16,17,18,20)
InChIKeyBSLMTPLKEIJKSH-UHFFFAOYSA-N
XLogP3.09
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
CID 108865397
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)urea
CID 971660
1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 83168791
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108895651
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341795
1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62841564
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61466520
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 65482274

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea (CID 61346275) is 1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cccc(C(C)O)c2)nc1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is BSLMTPLKEIJKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-6-7-14(16-9-10)18-15(20)17-13-5-3-4-12(8-13)11(2)19/h3-9,11,19H,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea?
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 271.32 g/mol, XLogP of 3.09, 3 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-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 61346275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).