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

C21H18F2N2O — CID 11976535

IUPACN-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C21H18F2N2O/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)11-13-25-21(26)17-2-1-12-24-14-17/h1-10,12,14,20H,11,13H2,(H,25,26)
InChIKeyPGLSPMQRWMIFOQ-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.31
Rot. Bonds6

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

N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide (PubChem CID 11976535) has the molecular formula C21H18F2N2O and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide
PubChem CID11976535
Molecular FormulaC21H18F2N2O
Molecular Weight352.38 g/mol
Exact Mass352.14
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C21H18F2N2O/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)11-13-25-21(26)17-2-1-12-24-14-17/h1-10,12,14,20H,11,13H2,(H,25,26)
InChIKeyPGLSPMQRWMIFOQ-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide (CID 11976535) is N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide is O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide?
The InChIKey is PGLSPMQRWMIFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)11-13-25-21(26)17-2-1-12-24-14-17/h1-10,12,14,20H,11,13H2,(H,25,26).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide?
N-[3,3-bis(4-fluorophenyl)propyl]pyridine-3-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 4.31, 6 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]pyridine-3-carboxamide is sourced from PubChem (CID 11976535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).