N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide

C20H18FN3O — CID 51086157

IUPACN-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C20H18FN3O/c21-18-7-3-15(4-8-18)13-24-20(25)17-5-9-19(10-6-17)23-14-16-2-1-11-22-12-16/h1-12,23H,13-14H2,(H,24,25)
InChIKeyXLNXLETZMGCKJV-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.76
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide

N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide (PubChem CID 51086157) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
PubChem CID51086157
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C20H18FN3O/c21-18-7-3-15(4-8-18)13-24-20(25)17-5-9-19(10-6-17)23-14-16-2-1-11-22-12-16/h1-12,23H,13-14H2,(H,24,25)
InChIKeyXLNXLETZMGCKJV-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53135643
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
3-N-[2-(4-fluorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105993
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
2-methyl-1-[4-(pyridin-3-ylmethylamino)phenyl]propan-1-one
CID 95463721
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide (CID 51086157) is N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide is O=C(NCc1ccc(F)cc1)c1ccc(NCc2cccnc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide?
The InChIKey is XLNXLETZMGCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-18-7-3-15(4-8-18)13-24-20(25)17-5-9-19(10-6-17)23-14-16-2-1-11-22-12-16/h1-12,23H,13-14H2,(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide?
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide has a molecular weight of 335.38 g/mol, XLogP of 3.76, 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]-4-(pyridin-3-ylmethylamino)benzamide is sourced from PubChem (CID 51086157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).