5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide

C18H20FN3O2 — CID 109105517

IUPAC5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cncc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O2/c1-18(2,3)22-17(24)14-8-13(9-20-10-14)16(23)21-11-12-6-4-5-7-15(12)19/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZBFPZPQYGZJXKN-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.68
Rot. Bonds4

About 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide

5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 109105517) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
PubChem CID109105517
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cncc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O2/c1-18(2,3)22-17(24)14-8-13(9-20-10-14)16(23)21-11-12-6-4-5-7-15(12)19/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZBFPZPQYGZJXKN-UHFFFAOYSA-N
XLogP2.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
3-N-[(2-fluorophenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105337
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
N-[(2-fluorophenyl)methyl]-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109233370
5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233337
5-(4-ethylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109104543
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105558
N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
CID 109239372
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide (CID 109105517) is 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide is CC(C)(C)NC(=O)c1cncc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is ZBFPZPQYGZJXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-18(2,3)22-17(24)14-8-13(9-20-10-14)16(23)21-11-12-6-4-5-7-15(12)19/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide?
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).