6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide

C20H18FN3O — CID 1434200

IUPAC6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-2-9-18(10-3-14)24-20(25)16-6-11-19(23-13-16)22-12-15-4-7-17(21)8-5-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyINCXLCRFBKARMK-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.39
Rot. Bonds5

About 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide

6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 1434200) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID1434200
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-2-9-18(10-3-14)24-20(25)16-6-11-19(23-13-16)22-12-15-4-7-17(21)8-5-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyINCXLCRFBKARMK-UHFFFAOYSA-N
XLogP4.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 1434200) is 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)nc2)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is INCXLCRFBKARMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14-2-9-18(10-3-14)24-20(25)16-6-11-19(23-13-16)22-12-15-4-7-17(21)8-5-15/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1434200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).