N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide

C15H15FN2O2 — CID 155742139

IUPACN-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide
SMILESO=CNCCc1cccnc1C(O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c16-13-5-3-12(4-6-13)15(20)14-11(2-1-8-18-14)7-9-17-10-19/h1-6,8,10,15,20H,7,9H2,(H,17,19)
InChIKeyDIQWLRAOHDUDPM-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.59
Rot. Bonds6

About N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide

N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide (PubChem CID 155742139) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide
PubChem CID155742139
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide
SMILESO=CNCCc1cccnc1C(O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c16-13-5-3-12(4-6-13)15(20)14-11(2-1-8-18-14)7-9-17-10-19/h1-6,8,10,15,20H,7,9H2,(H,17,19)
InChIKeyDIQWLRAOHDUDPM-UHFFFAOYSA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Phenyl(pyridin-3-yl)methanol
CID 234839
Phenyl(pyridin-2-yl)methanol
CID 315585
1-Phenyl-2-[(pyridin-4-ylmethyl)-amino]-ethanol
CID 2996949
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164
7-[(4-Fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69480267
7-[(4-Fluorophenyl)methyl]-4-hydroxy-n-[(2s)-2-hydroxypropyl]-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69481008
7-[(4-Fluorophenyl)methyl]-4-hydroxy-n-[(2r)-2-hydroxypropyl]-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69482622
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69651069
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
CID 71554996
(1S)-1-phenyl-2-(pyridin-2-yl)ethan-1-ol
CID 11310145
1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1-yl-ethanol
CID 11231451
1-(4-Fluoro-phenyl)-4-(5-fluoro-pyridin-2-yl)-4-piperazin-1-yl-butan-1-ol
CID 44298902

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide?
The IUPAC name of N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide (CID 155742139) is N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide?
The canonical SMILES for N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide is O=CNCCc1cccnc1C(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide?
The InChIKey is DIQWLRAOHDUDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-13-5-3-12(4-6-13)15(20)14-11(2-1-8-18-14)7-9-17-10-19/h1-6,8,10,15,20H,7,9H2,(H,17,19).
What are the key properties of N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide?
N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide has a molecular weight of 274.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethyl]formamide is sourced from PubChem (CID 155742139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).