N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide

C27H22F2N2O — CID 58768948

IUPACN-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C27H22F2N2O/c28-23-10-6-19(7-11-23)25(20-8-12-24(29)13-9-20)15-17-31-27(32)22-14-16-30-26(18-22)21-4-2-1-3-5-21/h1-14,16,18,25H,15,17H2,(H,31,32)
InChIKeyOVNHMVYUCHGXAU-UHFFFAOYSA-N
MW428.48 g/mol
LogP5.98
Rot. Bonds7

About N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide

N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide (PubChem CID 58768948) has the molecular formula C27H22F2N2O and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide
PubChem CID58768948
Molecular FormulaC27H22F2N2O
Molecular Weight428.48 g/mol
Exact Mass428.17
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(-c2ccccc2)c1
InChIInChI=1S/C27H22F2N2O/c28-23-10-6-19(7-11-23)25(20-8-12-24(29)13-9-20)15-17-31-27(32)22-14-16-30-26(18-22)21-4-2-1-3-5-21/h1-14,16,18,25H,15,17H2,(H,31,32)
InChIKeyOVNHMVYUCHGXAU-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[3-(4-fluorophenyl)-3-(3-methylsulfinylphenyl)propyl]pyridine-4-carboxamide
CID 143326823
N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide
CID 45121525
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109170654
N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 58769000
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 5199691
N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide
CID 16679482
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide (CID 58768948) is N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide is O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(-c2ccccc2)c1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide?
The InChIKey is OVNHMVYUCHGXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N2O/c28-23-10-6-19(7-11-23)25(20-8-12-24(29)13-9-20)15-17-31-27(32)22-14-16-30-26(18-22)21-4-2-1-3-5-21/h1-14,16,18,25H,15,17H2,(H,31,32).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide?
N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide is sourced from PubChem (CID 58768948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).