N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

C21H18FN3O3 — CID 55903588

IUPACN-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(COc1ccccc1F)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H18FN3O3/c22-18-6-1-2-7-19(18)28-14-20(26)24-13-15-4-3-5-17(12-15)25-21(27)16-8-10-23-11-9-16/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyXJIVXLAYSWFGIR-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.17
Rot. Bonds7

About N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55903588) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55903588
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(COc1ccccc1F)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H18FN3O3/c22-18-6-1-2-7-19(18)28-14-20(26)24-13-15-4-3-5-17(12-15)25-21(27)16-8-10-23-11-9-16/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyXJIVXLAYSWFGIR-UHFFFAOYSA-N
XLogP3.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
N-[4-[[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 86875216
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 47064659
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187776
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903083
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 55903588) is N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is O=C(COc1ccccc1F)NCc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is XJIVXLAYSWFGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-18-6-1-2-7-19(18)28-14-20(26)24-13-15-4-3-5-17(12-15)25-21(27)16-8-10-23-11-9-16/h1-12H,13-14H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55903588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).