2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide

C18H20FN3O2 — CID 109077658

IUPAC2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3O2/c1-2-9-21-17(23)14-8-11-20-16(12-14)18(24)22-10-7-13-3-5-15(19)6-4-13/h3-6,8,11-12H,2,7,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyMXJYSZYFDZLKBF-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.33
Rot. Bonds7

About 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide

2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide (PubChem CID 109077658) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
PubChem CID109077658
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3O2/c1-2-9-21-17(23)14-8-11-20-16(12-14)18(24)22-10-7-13-3-5-15(19)6-4-13/h3-6,8,11-12H,2,7,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyMXJYSZYFDZLKBF-UHFFFAOYSA-N
XLogP2.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088058
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088541
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088075

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide (CID 109077658) is 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide is CCCNC(=O)c1ccnc(C(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide?
The InChIKey is MXJYSZYFDZLKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-2-9-21-17(23)14-8-11-20-16(12-14)18(24)22-10-7-13-3-5-15(19)6-4-13/h3-6,8,11-12H,2,7,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide?
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109077658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).