N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide

C25H20F2N4O2 — CID 140783956

IUPACN-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C2(F)CCN(C(=O)c3ccc(F)c(NC(=O)c4cccnc4)c3)CC2)cc1
InChIInChI=1S/C25H20F2N4O2/c26-21-8-5-18(14-22(21)30-23(32)19-2-1-11-29-16-19)24(33)31-12-9-25(27,10-13-31)20-6-3-17(15-28)4-7-20/h1-8,11,14,16H,9-10,12-13H2,(H,30,32)
InChIKeyPNCXUGXIHVKIIU-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.45
Rot. Bonds4

About N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide

N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide (PubChem CID 140783956) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide
PubChem CID140783956
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(C2(F)CCN(C(=O)c3ccc(F)c(NC(=O)c4cccnc4)c3)CC2)cc1
InChIInChI=1S/C25H20F2N4O2/c26-21-8-5-18(14-22(21)30-23(32)19-2-1-11-29-16-19)24(33)31-12-9-25(27,10-13-31)20-6-3-17(15-28)4-7-20/h1-8,11,14,16H,9-10,12-13H2,(H,30,32)
InChIKeyPNCXUGXIHVKIIU-UHFFFAOYSA-N
XLogP4.45
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-methylphenyl]pyrimidine-5-carboxamide
CID 70872231
N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 23903176
6-chloro-N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]pyridine-3-carboxamide
CID 121276337
N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
CID 78965630
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 110361821
N-(2-fluoro-5-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110362254
N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 23826531
6-(azetidin-1-yl)-N-[2-chloro-5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 175663916
N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]-3,4-difluorobenzamide
CID 23963893
N-(5-bromo-2-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110779489
4-cyano-N-[6-oxo-11-(pyridine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
CID 78454202
4-cyano-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 23768522

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide (CID 140783956) is N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide is N#Cc1ccc(C2(F)CCN(C(=O)c3ccc(F)c(NC(=O)c4cccnc4)c3)CC2)cc1.
What is the InChIKey of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide?
The InChIKey is PNCXUGXIHVKIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c26-21-8-5-18(14-22(21)30-23(32)19-2-1-11-29-16-19)24(33)31-12-9-25(27,10-13-31)20-6-3-17(15-28)4-7-20/h1-8,11,14,16H,9-10,12-13H2,(H,30,32).
What are the key properties of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide?
N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-fluorophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 140783956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).