4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide

C20H25FN4O2 — CID 109083889

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C20H25FN4O2/c1-25(2)13-5-10-23-19(26)16-9-11-22-18(14-16)20(27)24-12-8-15-6-3-4-7-17(15)21/h3-4,6-7,9,11,14H,5,8,10,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyHXAYUTBJRCGUPI-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.87
Rot. Bonds9

About 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide

4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109083889) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109083889
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C20H25FN4O2/c1-25(2)13-5-10-23-19(26)16-9-11-22-18(14-16)20(27)24-12-8-15-6-3-4-7-17(15)21/h3-4,6-7,9,11,14H,5,8,10,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyHXAYUTBJRCGUPI-UHFFFAOYSA-N
XLogP1.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109084078
2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide (CID 109083889) is 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide is CN(C)CCCNC(=O)c1ccnc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is HXAYUTBJRCGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-25(2)13-5-10-23-19(26)16-9-11-22-18(14-16)20(27)24-12-8-15-6-3-4-7-17(15)21/h3-4,6-7,9,11,14H,5,8,10,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide?
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 372.44 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).