N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide

C21H20FN3O — CID 109211300

IUPACN-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccccc3F)ccn2)c(C)c1
InChIInChI=1S/C21H20FN3O/c1-14-7-8-19(15(2)11-14)25-21(26)20-12-17(9-10-23-20)24-13-16-5-3-4-6-18(16)22/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQPDGGBWOPHVWNY-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.70
Rot. Bonds5

About N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide

N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109211300) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
PubChem CID109211300
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccccc3F)ccn2)c(C)c1
InChIInChI=1S/C21H20FN3O/c1-14-7-8-19(15(2)11-14)25-21(26)20-12-17(9-10-23-20)24-13-16-5-3-4-6-18(16)22/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQPDGGBWOPHVWNY-UHFFFAOYSA-N
XLogP4.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
4-N-(2,4-dimethylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109091713
ethyl 4-[[4-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109211355
N-(2,4-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215351
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109189944
N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210139
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 109209889
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide (CID 109211300) is N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(NCc3ccccc3F)ccn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is QPDGGBWOPHVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14-7-8-19(15(2)11-14)25-21(26)20-12-17(9-10-23-20)24-13-16-5-3-4-6-18(16)22/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109211300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).