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

C23H23FN4O — CID 109211394

IUPACN-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(N2CCN(c3ccccc3)CC2)ccn1
InChIInChI=1S/C23H23FN4O/c24-19-8-6-18(7-9-19)17-26-23(29)22-16-21(10-11-25-22)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,26,29)
InChIKeyJEFIMGWFYAMAHY-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.48
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109211394) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109211394
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(N2CCN(c3ccccc3)CC2)ccn1
InChIInChI=1S/C23H23FN4O/c24-19-8-6-18(7-9-19)17-26-23(29)22-16-21(10-11-25-22)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,26,29)
InChIKeyJEFIMGWFYAMAHY-UHFFFAOYSA-N
XLogP3.48
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate
CID 109211400
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213263
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208878
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133417321
4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
N-benzyl-4-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166208623
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109207121

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (CID 109211394) is N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(N2CCN(c3ccccc3)CC2)ccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is JEFIMGWFYAMAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-19-8-6-18(7-9-19)17-26-23(29)22-16-21(10-11-25-22)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109211394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).