4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

C22H22FN3O — CID 109210175

IUPAC4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(NCCc3ccc(F)cc3)ccn2)c1
InChIInChI=1S/C22H22FN3O/c1-16-3-2-4-18(13-16)15-26-22(27)21-14-20(10-12-25-21)24-11-9-17-5-7-19(23)8-6-17/h2-8,10,12-14H,9,11,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyNJJCJIMUBOEEEB-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.11
Rot. Bonds7

About 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109210175) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109210175
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(NCCc3ccc(F)cc3)ccn2)c1
InChIInChI=1S/C22H22FN3O/c1-16-3-2-4-18(13-16)15-26-22(27)21-14-20(10-12-25-21)24-11-9-17-5-7-19(23)8-6-17/h2-8,10,12-14H,9,11,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyNJJCJIMUBOEEEB-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214200
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109188383
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214209
N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210289
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (CID 109210175) is 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is Cc1cccc(CNC(=O)c2cc(NCCc3ccc(F)cc3)ccn2)c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is NJJCJIMUBOEEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-16-3-2-4-18(13-16)15-26-22(27)21-14-20(10-12-25-21)24-11-9-17-5-7-19(23)8-6-17/h2-8,10,12-14H,9,11,15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).