N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide

C22H22FN3O — CID 109236524

IUPACN-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cncc(NCCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H22FN3O/c1-15-3-4-16(2)21(11-15)26-22(27)18-12-20(14-24-13-18)25-10-9-17-5-7-19(23)8-6-17/h3-8,11-14,25H,9-10H2,1-2H3,(H,26,27)
InChIKeyADJDRRSHCGBIFU-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.74
Rot. Bonds6

About N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide

N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 109236524) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
PubChem CID109236524
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cncc(NCCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H22FN3O/c1-15-3-4-16(2)21(11-15)26-22(27)18-12-20(14-24-13-18)25-10-9-17-5-7-19(23)8-6-17/h3-8,11-14,25H,9-10H2,1-2H3,(H,26,27)
InChIKeyADJDRRSHCGBIFU-UHFFFAOYSA-N
XLogP4.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144
N-(2-methoxy-5-methylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236957
methyl 2-[[5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236565
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109223200
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
5-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237845
N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239101
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
5-(3,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242833
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671
N-(2,4-dimethylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236799

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide (CID 109236524) is N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide is Cc1ccc(C)c(NC(=O)c2cncc(NCCc3ccc(F)cc3)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is ADJDRRSHCGBIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15-3-4-16(2)21(11-15)26-22(27)18-12-20(14-24-13-18)25-10-9-17-5-7-19(23)8-6-17/h3-8,11-14,25H,9-10H2,1-2H3,(H,26,27).
What are the key properties of N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109236524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).