N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

C22H21FN4O — CID 95105368

IUPACN-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C22H21FN4O/c23-18-6-8-19(9-7-18)26-22(28)17-10-11-25-21(14-17)27-13-12-24-20(15-27)16-4-2-1-3-5-16/h1-11,14,20,24H,12-13,15H2,(H,26,28)/t20-/m0/s1
InChIKeyLIXVFBTVLSJNPP-FQEVSTJZSA-N
MW376.44 g/mol
LogP3.62
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 95105368) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
PubChem CID95105368
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C22H21FN4O/c23-18-6-8-19(9-7-18)26-22(28)17-10-11-25-21(14-17)27-13-12-24-20(15-27)16-4-2-1-3-5-16/h1-11,14,20,24H,12-13,15H2,(H,26,28)/t20-/m0/s1
InChIKeyLIXVFBTVLSJNPP-FQEVSTJZSA-N
XLogP3.62
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104992
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104917
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964
[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 95104986
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (CID 95105368) is N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is LIXVFBTVLSJNPP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-18-6-8-19(9-7-18)26-22(28)17-10-11-25-21(14-17)27-13-12-24-20(15-27)16-4-2-1-3-5-16/h1-11,14,20,24H,12-13,15H2,(H,26,28)/t20-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95105368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).