N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide

C14H13FN2O2 — CID 115116099

IUPACN-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(CO)c1
InChIInChI=1S/C14H13FN2O2/c15-13-4-2-1-3-11(13)8-17-14(19)10-5-6-16-12(7-10)9-18/h1-7,18H,8-9H2,(H,17,19)
InChIKeyJZEULEVQLBEBQT-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.64
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide

N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide (PubChem CID 115116099) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
PubChem CID115116099
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(CO)c1
InChIInChI=1S/C14H13FN2O2/c15-13-4-2-1-3-11(13)8-17-14(19)10-5-6-16-12(7-10)9-18/h1-7,18H,8-9H2,(H,17,19)
InChIKeyJZEULEVQLBEBQT-UHFFFAOYSA-N
XLogP1.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62248324
2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 67153947
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036787
2-N-[(2-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085013
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide (CID 115116099) is N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide is O=C(NCc1ccccc1F)c1ccnc(CO)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide?
The InChIKey is JZEULEVQLBEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-13-4-2-1-3-11(13)8-17-14(19)10-5-6-16-12(7-10)9-18/h1-7,18H,8-9H2,(H,17,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115116099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).