5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide

C24H25FN4O — CID 58833091

IUPAC5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)c3cncc(-c4ccc(F)cc4)c3)cc2)CC1
InChIInChI=1S/C24H25FN4O/c1-28-10-12-29(13-11-28)23-8-2-18(3-9-23)15-27-24(30)21-14-20(16-26-17-21)19-4-6-22(25)7-5-19/h2-9,14,16-17H,10-13,15H2,1H3,(H,27,30)
InChIKeyJBOLSZNPLFQWKB-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.57
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide

5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 58833091) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID58833091
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)c3cncc(-c4ccc(F)cc4)c3)cc2)CC1
InChIInChI=1S/C24H25FN4O/c1-28-10-12-29(13-11-28)23-8-2-18(3-9-23)15-27-24(30)21-14-20(16-26-17-21)19-4-6-22(25)7-5-19/h2-9,14,16-17H,10-13,15H2,1H3,(H,27,30)
InChIKeyJBOLSZNPLFQWKB-UHFFFAOYSA-N
XLogP3.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
5-[4-(4-methylpiperazin-1-yl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 117091609
N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109233560
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 58833166
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233544
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide (CID 58833091) is 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide is CN1CCN(c2ccc(CNC(=O)c3cncc(-c4ccc(F)cc4)c3)cc2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is JBOLSZNPLFQWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-28-10-12-29(13-11-28)23-8-2-18(3-9-23)15-27-24(30)21-14-20(16-26-17-21)19-4-6-22(25)7-5-19/h2-9,14,16-17H,10-13,15H2,1H3,(H,27,30).
What are the key properties of 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide?
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58833091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).