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

C23H23FN4O — CID 53180624

IUPACN-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cccnc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C23H23FN4O/c24-19-9-4-6-17(14-19)15-27-23(29)20-10-5-11-26-22(20)28-13-12-25-21(16-28)18-7-2-1-3-8-18/h1-11,14,21,25H,12-13,15-16H2,(H,27,29)
InChIKeyQFMHKYLYFRLOHG-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.30
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 53180624) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID53180624
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cccnc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C23H23FN4O/c24-19-9-4-6-17(14-19)15-27-23(29)20-10-5-11-26-22(20)28-13-12-25-21(16-28)18-7-2-1-3-8-18/h1-11,14,21,25H,12-13,15-16H2,(H,27,29)
InChIKeyQFMHKYLYFRLOHG-UHFFFAOYSA-N
XLogP3.30
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 53180624) is N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is O=C(NCc1cccc(F)c1)c1cccnc1N1CCNC(c2ccccc2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is QFMHKYLYFRLOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-19-9-4-6-17(14-19)15-27-23(29)20-10-5-11-26-22(20)28-13-12-25-21(16-28)18-7-2-1-3-8-18/h1-11,14,21,25H,12-13,15-16H2,(H,27,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53180624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).