N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

C22H20F2N4O — CID 109194372

IUPACN-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C22H20F2N4O/c23-16-4-3-5-17(14-16)26-22(29)20-9-8-18(15-25-20)27-10-12-28(13-11-27)21-7-2-1-6-19(21)24/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyGDNFQDCGWRZHMK-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.94
Rot. Bonds4

About N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 109194372) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID109194372
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CCN(c3ccccc3F)CC2)cn1
InChIInChI=1S/C22H20F2N4O/c23-16-4-3-5-17(14-16)26-22(29)20-9-8-18(15-25-20)27-10-12-28(13-11-27)21-7-2-1-6-19(21)24/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyGDNFQDCGWRZHMK-UHFFFAOYSA-N
XLogP3.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 112984547
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029474
N-(3-cyanophenyl)-5-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109187203
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109200665
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
5-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109186547
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109353022

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (CID 109194372) is N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(N2CCN(c3ccccc3F)CC2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is GDNFQDCGWRZHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-16-4-3-5-17(14-16)26-22(29)20-9-8-18(15-25-20)27-10-12-28(13-11-27)21-7-2-1-6-19(21)24/h1-9,14-15H,10-13H2,(H,26,29).
What are the key properties of N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 109194372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).