N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide

C23H23FN4O — CID 53180859

IUPACN-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C23H23FN4O/c24-19-11-9-17(10-12-19)15-26-23(29)20-7-4-8-22(27-20)28-14-13-25-21(16-28)18-5-2-1-3-6-18/h1-12,21,25H,13-16H2,(H,26,29)
InChIKeyWDQMSNQZWSQTRU-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.30
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 53180859) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID53180859
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C23H23FN4O/c24-19-11-9-17(10-12-19)15-26-23(29)20-7-4-8-22(27-20)28-14-13-25-21(16-28)18-5-2-1-3-6-18/h1-12,21,25H,13-16H2,(H,26,29)
InChIKeyWDQMSNQZWSQTRU-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide (CID 53180859) is N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cccc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is WDQMSNQZWSQTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-19-11-9-17(10-12-19)15-26-23(29)20-7-4-8-22(27-20)28-14-13-25-21(16-28)18-5-2-1-3-6-18/h1-12,21,25H,13-16H2,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-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-[(4-fluorophenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 53180859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).