N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C20H20F2N2O — CID 53051250

IUPACN-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1=CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H20F2N2O/c21-18-6-3-4-15(12-18)14-24-10-8-16(9-11-24)20(25)23-13-17-5-1-2-7-19(17)22/h1-8,12H,9-11,13-14H2,(H,23,25)
InChIKeyFCRWBHRIMXSTIE-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.41
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53051250) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53051250
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1=CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H20F2N2O/c21-18-6-3-4-15(12-18)14-24-10-8-16(9-11-24)20(25)23-13-17-5-1-2-7-19(17)22/h1-8,12H,9-11,13-14H2,(H,23,25)
InChIKeyFCRWBHRIMXSTIE-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051281
N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051196
N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051276
1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53013550
N-cyclohexyl-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051245
1-[(2-fluorophenyl)methyl]-N-phenyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929932
[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 53013551
N-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929929
[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53051270
1-benzyl-N-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051125
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898
3-bromo-N-[(2-fluorophenyl)methyl]-4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040434

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53051250) is N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(NCc1ccccc1F)C1=CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is FCRWBHRIMXSTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c21-18-6-3-4-15(12-18)14-24-10-8-16(9-11-24)20(25)23-13-17-5-1-2-7-19(17)22/h1-8,12H,9-11,13-14H2,(H,23,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53051250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).