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

C21H18FN3O2 — CID 108925705

IUPACN-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1F)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H18FN3O2/c22-19-6-2-1-4-16(19)12-20(26)24-13-15-7-9-18(10-8-15)25-21(27)17-5-3-11-23-14-17/h1-11,14H,12-13H2,(H,24,26)(H,25,27)
InChIKeyKLQRAIIEWZVWAL-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.33
Rot. Bonds6

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

N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925705) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925705
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1F)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H18FN3O2/c22-19-6-2-1-4-16(19)12-20(26)24-13-15-7-9-18(10-8-15)25-21(27)17-5-3-11-23-14-17/h1-11,14H,12-13H2,(H,24,26)(H,25,27)
InChIKeyKLQRAIIEWZVWAL-UHFFFAOYSA-N
XLogP3.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925692
N-[4-[[[2-(2-chloro-4-hydroxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 167869744
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120596241
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 108925705) is N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is O=C(Cc1ccccc1F)NCc1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KLQRAIIEWZVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-19-6-2-1-4-16(19)12-20(26)24-13-15-7-9-18(10-8-15)25-21(27)17-5-3-11-23-14-17/h1-11,14H,12-13H2,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).