N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C21H22F2N2O — CID 53051196

IUPACN-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccc(CN2CC=C(C(=O)NCc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C21H22F2N2O/c1-15-3-2-4-16(11-15)14-25-9-7-17(8-10-25)21(26)24-13-18-12-19(22)5-6-20(18)23/h2-7,11-12H,8-10,13-14H2,1H3,(H,24,26)
InChIKeyYXEIYYXTNRGQGY-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.72
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide

N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53051196) has the molecular formula C21H22F2N2O and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53051196
Molecular FormulaC21H22F2N2O
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccc(CN2CC=C(C(=O)NCc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C21H22F2N2O/c1-15-3-2-4-16(11-15)14-25-9-7-17(8-10-25)21(26)24-13-18-12-19(22)5-6-20(18)23/h2-7,11-12H,8-10,13-14H2,1H3,(H,24,26)
InChIKeyYXEIYYXTNRGQGY-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.72
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-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051281
N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051276
1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051194
1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051197
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
N-(4-methoxy-2-methylphenyl)-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051206
1-benzyl-N-[(5-methylfuran-2-yl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051132
[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 53013551
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53051196) is N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1cccc(CN2CC=C(C(=O)NCc3cc(F)ccc3F)CC2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is YXEIYYXTNRGQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O/c1-15-3-2-4-16(11-15)14-25-9-7-17(8-10-25)21(26)24-13-18-12-19(22)5-6-20(18)23/h2-7,11-12H,8-10,13-14H2,1H3,(H,24,26).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53051196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).