1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide

C24H21FN4O — CID 72856076

IUPAC1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
SMILESN#Cc1cccnc1N1CCCC(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1
InChIInChI=1S/C24H21FN4O/c25-21-7-1-4-18(14-21)17-8-10-22(11-9-17)28-24(30)20-6-3-13-29(16-20)23-19(15-26)5-2-12-27-23/h1-2,4-5,7-12,14,20H,3,6,13,16H2,(H,28,30)
InChIKeyCENPICNLZWVUKL-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.61
Rot. Bonds4

About 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide

1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide (PubChem CID 72856076) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
PubChem CID72856076
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
SMILESN#Cc1cccnc1N1CCCC(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1
InChIInChI=1S/C24H21FN4O/c25-21-7-1-4-18(14-21)17-8-10-22(11-9-17)28-24(30)20-6-3-13-29(16-20)23-19(15-26)5-2-12-27-23/h1-2,4-5,7-12,14,20H,3,6,13,16H2,(H,28,30)
InChIKeyCENPICNLZWVUKL-UHFFFAOYSA-N
XLogP4.61
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-phenylpiperidine-3-carboxamide
CID 95085728
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 42522383
N-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53033873
N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 45212597
N-[4-(3-fluorophenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 72838343
1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770067
(3R)-N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050385
N-(3-fluorophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 50834334

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide (CID 72856076) is 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide is N#Cc1cccnc1N1CCCC(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1.
What is the InChIKey of 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is CENPICNLZWVUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c25-21-7-1-4-18(14-21)17-8-10-22(11-9-17)28-24(30)20-6-3-13-29(16-20)23-19(15-26)5-2-12-27-23/h1-2,4-5,7-12,14,20H,3,6,13,16H2,(H,28,30).
What are the key properties of 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide?
1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 72856076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).