4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide

C17H18FN3O2 — CID 109089156

IUPAC4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H18FN3O2/c1-17(2,3)21-15(22)11-8-9-19-14(10-11)16(23)20-13-7-5-4-6-12(13)18/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyXBZPVPFBVSFHEP-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.00
Rot. Bonds3

About 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide

4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109089156) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109089156
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H18FN3O2/c1-17(2,3)21-15(22)11-8-9-19-14(10-11)16(23)20-13-7-5-4-6-12(13)18/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyXBZPVPFBVSFHEP-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092591
4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089161
2-N-(2-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092647
4-N-(4-acetylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092659
4-N-(2,4-dimethylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109091713
2-N-tert-butyl-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109089264
4-N-(3,4-dimethylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109091879
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109092619
4-N-(3-chloro-4-fluorophenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092643
2-N-(3-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092592
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide (CID 109089156) is 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide is CC(C)(C)NC(=O)c1ccnc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is XBZPVPFBVSFHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-17(2,3)21-15(22)11-8-9-19-14(10-11)16(23)20-13-7-5-4-6-12(13)18/h4-10H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide?
4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).