N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide

C23H24FN3O — CID 109233471

IUPACN-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C23H24FN3O/c1-23(2,3)19-9-5-7-11-21(19)27-22(28)17-12-18(15-25-13-17)26-14-16-8-4-6-10-20(16)24/h4-13,15,26H,14H2,1-3H3,(H,27,28)
InChIKeyZIZXMZWRWRVGFU-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.38
Rot. Bonds5

About N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide

N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109233471) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109233471
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC NameN-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C23H24FN3O/c1-23(2,3)19-9-5-7-11-21(19)27-22(28)17-12-18(15-25-13-17)26-14-16-8-4-6-10-20(16)24/h4-13,15,26H,14H2,1-3H3,(H,27,28)
InChIKeyZIZXMZWRWRVGFU-UHFFFAOYSA-N
XLogP5.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233461
N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257067
5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide
CID 109233513
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459
5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109239410
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
methyl 3-[[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109233505
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223975

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 109233471) is N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cncc(NCc2ccccc2F)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is ZIZXMZWRWRVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-23(2,3)19-9-5-7-11-21(19)27-22(28)17-12-18(15-25-13-17)26-14-16-8-4-6-10-20(16)24/h4-13,15,26H,14H2,1-3H3,(H,27,28).
What are the key properties of N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109233471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).