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

C20H20BrFN2O — CID 53051281

IUPACN-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Br)C1=CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H20BrFN2O/c21-19-7-2-1-5-17(19)13-23-20(25)16-8-10-24(11-9-16)14-15-4-3-6-18(22)12-15/h1-8,12H,9-11,13-14H2,(H,23,25)
InChIKeyXVRGNYAOUFEMJY-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.04
Rot. Bonds5

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

N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53051281) has the molecular formula C20H20BrFN2O and a molecular weight of 403.30 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53051281
Molecular FormulaC20H20BrFN2O
Molecular Weight403.30 g/mol
Exact Mass402.07
IUPAC NameN-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Br)C1=CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H20BrFN2O/c21-19-7-2-1-5-17(19)13-23-20(25)16-8-10-24(11-9-16)14-15-4-3-6-18(22)12-15/h1-8,12H,9-11,13-14H2,(H,23,25)
InChIKeyXVRGNYAOUFEMJY-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051250
N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051276
N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051196
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-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 53013551
[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
1-benzyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051141
3-bromo-N-[(2-fluorophenyl)methyl]-4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040434
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 53279655
1-[(2-fluorophenyl)methyl]-N-phenyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929932

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53051281) is N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(NCc1ccccc1Br)C1=CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is XVRGNYAOUFEMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN2O/c21-19-7-2-1-5-17(19)13-23-20(25)16-8-10-24(11-9-16)14-15-4-3-6-18(22)12-15/h1-8,12H,9-11,13-14H2,(H,23,25).
What are the key properties of N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 403.30 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53051281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).