3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide

C18H19F2N3O2 — CID 111458172

IUPAC3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccncc1F
InChIInChI=1S/C18H19F2N3O2/c19-15-9-12(1-2-17(15)23-7-4-13(24)5-8-23)10-22-18(25)14-3-6-21-11-16(14)20/h1-3,6,9,11,13,24H,4-5,7-8,10H2,(H,22,25)
InChIKeyVCXIVSDUCRUHSV-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.25
Rot. Bonds4

About 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide

3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 111458172) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID111458172
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccncc1F
InChIInChI=1S/C18H19F2N3O2/c19-15-9-12(1-2-17(15)23-7-4-13(24)5-8-23)10-22-18(25)14-3-6-21-11-16(14)20/h1-3,6,9,11,13,24H,4-5,7-8,10H2,(H,22,25)
InChIKeyVCXIVSDUCRUHSV-UHFFFAOYSA-N
XLogP2.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide
CID 60579710
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94666162
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 56796904
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
CID 110929833
1-butyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]urea
CID 110900135
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
CID 109397854
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-phenylfuran-2-carboxamide
CID 60579615
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60579554
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluoropyridine-4-carboxamide
CID 105062273

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide (CID 111458172) is 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is VCXIVSDUCRUHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c19-15-9-12(1-2-17(15)23-7-4-13(24)5-8-23)10-22-18(25)14-3-6-21-11-16(14)20/h1-3,6,9,11,13,24H,4-5,7-8,10H2,(H,22,25).
What are the key properties of 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide?
3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 111458172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).