1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea

C15H16FN3O2 — CID 95301553

IUPAC1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea
SMILESCN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccncc1
InChIInChI=1S/C15H16FN3O2/c1-19(15(21)18-13-6-8-17-9-7-13)10-14(20)11-2-4-12(16)5-3-11/h2-9,14,20H,10H2,1H3,(H,17,18,21)/t14-/m1/s1
InChIKeyHBPTYKZVDNDLBC-CQSZACIVSA-N
MW289.31 g/mol
LogP2.42
Rot. Bonds4

About 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea

1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea (PubChem CID 95301553) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea
PubChem CID95301553
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea
SMILESCN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccncc1
InChIInChI=1S/C15H16FN3O2/c1-19(15(21)18-13-6-8-17-9-7-13)10-14(20)11-2-4-12(16)5-3-11/h2-9,14,20H,10H2,1H3,(H,17,18,21)/t14-/m1/s1
InChIKeyHBPTYKZVDNDLBC-CQSZACIVSA-N
XLogP2.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

AS-1892802
CID 46911016
1-Phenyl-2-[(pyridin-4-ylmethyl)-amino]-ethanol
CID 2996949
2-[(2-Hydroxy-2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595645
N-(4-tert-butylphenyl)-4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 25104369
1(S)-(2-Hydroxy-1-phenyl-ethyl)-3-(4-pyridin-4-yl-phenyl)-urea
CID 57663921
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770450
4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoropyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770496
1-(4-Fluorophenyl)-3-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]urea
CID 20577168
Benzyl alcohol, alpha-(1-((4-pyridylmethyl)amino)ethyl)-, hydrochloride
CID 26191
Benzyl alcohol, alpha-(((3-amino-4-pyridyl)amino)methyl)-, dihydrochloride
CID 29123
1-[2-Hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 53547155
1-[2-Hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(pyridin-2-ylmethyl)urea
CID 53591355

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea?
The IUPAC name of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea (CID 95301553) is 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea is CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccncc1.
What is the InChIKey of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea?
The InChIKey is HBPTYKZVDNDLBC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-19(15(21)18-13-6-8-17-9-7-13)10-14(20)11-2-4-12(16)5-3-11/h2-9,14,20H,10H2,1H3,(H,17,18,21)/t14-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea?
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea has a molecular weight of 289.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-pyridin-4-ylurea is sourced from PubChem (CID 95301553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).