N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

C21H20FN3O — CID 109188488

IUPACN-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)NCc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C21H20FN3O/c1-15-3-2-4-17(11-15)13-23-19-9-10-20(24-14-19)21(26)25-12-16-5-7-18(22)8-6-16/h2-11,14,23H,12-13H2,1H3,(H,25,26)
InChIKeyDKAAARNUSLAUBH-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.07
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109188488) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109188488
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)NCc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C21H20FN3O/c1-15-3-2-4-17(11-15)13-23-19-9-10-20(24-14-19)21(26)25-12-16-5-7-18(22)8-6-16/h2-11,14,23H,12-13H2,1H3,(H,25,26)
InChIKeyDKAAARNUSLAUBH-UHFFFAOYSA-N
XLogP4.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109188383
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546
5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188428
N-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188543
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210175
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188558
5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188609

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109188488) is N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1cccc(CNc2ccc(C(=O)NCc3ccc(F)cc3)nc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is DKAAARNUSLAUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-3-2-4-17(11-15)13-23-19-9-10-20(24-14-19)21(26)25-12-16-5-7-18(22)8-6-16/h2-11,14,23H,12-13H2,1H3,(H,25,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109188488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).