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

C21H18F2N2O2 — CID 58769016

IUPACN-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide
SMILESO=C(NCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C21H18F2N2O2/c22-18-7-3-16(4-8-18)21(27,17-5-9-19(23)10-6-17)11-13-25-20(26)15-2-1-12-24-14-15/h1-10,12,14,27H,11,13H2,(H,25,26)
InChIKeyKPMWFTFFWRQFMM-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.42
Rot. Bonds6

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

N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 58769016) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide
PubChem CID58769016
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC NameN-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide
SMILESO=C(NCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C21H18F2N2O2/c22-18-7-3-16(4-8-18)21(27,17-5-9-19(23)10-6-17)11-13-25-20(26)15-2-1-12-24-14-15/h1-10,12,14,27H,11,13H2,(H,25,26)
InChIKeyKPMWFTFFWRQFMM-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 16726072
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide
CID 11976535
Nicofetamide
CID 3033975
N-(4,4-Diphenyl-butyl)-nicotinamide
CID 44475209
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-nicotinamide
CID 10431921
N-[2-[(3S)-3-[(4-hydroxy-4-pyridin-3-ylcyclohexyl)amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11329328
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
N-[2-[[(3R)-1-(4-hydroxy-4-pyridin-3-ylcyclohexyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 57395218
18F-Fndp
CID 138319964
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118171

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide (CID 58769016) is N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide is O=C(NCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is KPMWFTFFWRQFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c22-18-7-3-16(4-8-18)21(27,17-5-9-19(23)10-6-17)11-13-25-20(26)15-2-1-12-24-14-15/h1-10,12,14,27H,11,13H2,(H,25,26).
What are the key properties of N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide?
N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 58769016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).