5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide

C24H18F2N4O — CID 56598758

IUPAC5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnc(F)c1
InChIInChI=1S/C24H18F2N4O/c1-15-9-16(12-29-23(15)18-7-8-27-22(26)11-18)13-30-24(31)21-6-5-19(14-28-21)17-3-2-4-20(25)10-17/h2-12,14H,13H2,1H3,(H,30,31)
InChIKeyJBRZRNDVFOEXAX-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.72
Rot. Bonds5

About 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide

5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 56598758) has the molecular formula C24H18F2N4O and a molecular weight of 416.43 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID56598758
Molecular FormulaC24H18F2N4O
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnc(F)c1
InChIInChI=1S/C24H18F2N4O/c1-15-9-16(12-29-23(15)18-7-8-27-22(26)11-18)13-30-24(31)21-6-5-19(14-28-21)17-3-2-4-20(25)10-17/h2-12,14H,13H2,1H3,(H,30,31)
InChIKeyJBRZRNDVFOEXAX-UHFFFAOYSA-N
XLogP4.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Lgh-447
CID 44814409
Saruparib
CID 155586901
Jnj-31020028
CID 25134625
Lsn2463359
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Piberaline
CID 65975
N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
CID 46179018
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
CID 11430774
N-(2-aminophenyl)-4-(3-fluoro-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
CID 11590444
N-(2-aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11633344
n-(2-Aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-fluoropyridin-2-yl}benzamide
CID 11683474
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 56598758) is 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide is Cc1cc(CNC(=O)c2ccc(-c3cccc(F)c3)cn2)cnc1-c1ccnc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is JBRZRNDVFOEXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O/c1-15-9-16(12-29-23(15)18-7-8-27-22(26)11-18)13-30-24(31)21-6-5-19(14-28-21)17-3-2-4-20(25)10-17/h2-12,14H,13H2,1H3,(H,30,31).
What are the key properties of 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide?
5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 56598758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).