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

C20H16FN3O2 — CID 67153947

IUPAC2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H16FN3O2/c21-17-9-5-4-8-16(17)13-23-19(25)15-10-11-22-18(12-15)24-20(26)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25)(H,22,24,26)
InChIKeyOUTCCKHHBURULW-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.40
Rot. Bonds5

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

2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 67153947) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID67153947
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H16FN3O2/c21-17-9-5-4-8-16(17)13-23-19(25)15-10-11-22-18(12-15)24-20(26)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25)(H,22,24,26)
InChIKeyOUTCCKHHBURULW-UHFFFAOYSA-N
XLogP3.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62248324
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036787
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide (CID 67153947) is 2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccccc1F)c1ccnc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is OUTCCKHHBURULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-17-9-5-4-8-16(17)13-23-19(25)15-10-11-22-18(12-15)24-20(26)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25)(H,22,24,26).
What are the key properties of 2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide?
2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67153947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).