4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide

C21H19FN4O2 — CID 109087210

IUPAC4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCCc1ccccc1F)c1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H19FN4O2/c22-18-7-2-1-5-15(18)8-12-25-20(27)16-9-11-24-19(13-16)21(28)26-14-17-6-3-4-10-23-17/h1-7,9-11,13H,8,12,14H2,(H,25,27)(H,26,28)
InChIKeyVWXMKHRAWCVXAD-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.52
Rot. Bonds7

About 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide

4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087210) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087210
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCCc1ccccc1F)c1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H19FN4O2/c22-18-7-2-1-5-15(18)8-12-25-20(27)16-9-11-24-19(13-16)21(28)26-14-17-6-3-4-10-23-17/h1-7,9-11,13H,8,12,14H2,(H,25,27)(H,26,28)
InChIKeyVWXMKHRAWCVXAD-UHFFFAOYSA-N
XLogP2.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
4-N-(2,6-difluorophenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087302
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
2-N-(3-phenylpropyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087124
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
4-N-(pyridin-2-ylmethyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109087202
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087210) is 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide is O=C(NCCc1ccccc1F)c1ccnc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is VWXMKHRAWCVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-18-7-2-1-5-15(18)8-12-25-20(27)16-9-11-24-19(13-16)21(28)26-14-17-6-3-4-10-23-17/h1-7,9-11,13H,8,12,14H2,(H,25,27)(H,26,28).
What are the key properties of 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 378.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).