2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide

C16H13F5N4O2 — CID 10430337

IUPAC2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NCC(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C16H13F5N4O2/c17-15(18,16(19,20)21)8-24-13(26)9-5-6-12(23-7-9)14(27)25-11-4-2-1-3-10(11)22/h1-7H,8,22H2,(H,24,26)(H,25,27)
InChIKeyYJYMKQWEMLSXGK-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.84
Rot. Bonds5

About 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide

2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide (PubChem CID 10430337) has the molecular formula C16H13F5N4O2 and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide
PubChem CID10430337
Molecular FormulaC16H13F5N4O2
Molecular Weight388.30 g/mol
Exact Mass388.10
IUPAC Name2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NCC(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C16H13F5N4O2/c17-15(18,16(19,20)21)8-24-13(26)9-5-6-12(23-7-9)14(27)25-11-4-2-1-3-10(11)22/h1-7H,8,22H2,(H,24,26)(H,25,27)
InChIKeyYJYMKQWEMLSXGK-UHFFFAOYSA-N
XLogP2.84
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-aminophenyl)-5-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 10266798
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
2-N-(2-aminophenyl)-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]pyridine-2,5-dicarboxamide
CID 155469471
5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide
CID 10475062
N-(2-aminophenyl)-5-ethylpyridine-2-carboxamide
CID 145488615
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide
CID 155469490
N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide
CID 141267227
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 36661694
5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide (CID 10430337) is 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide is Nc1ccccc1NC(=O)c1ccc(C(=O)NCC(F)(F)C(F)(F)F)cn1.
What is the InChIKey of 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide?
The InChIKey is YJYMKQWEMLSXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4O2/c17-15(18,16(19,20)21)8-24-13(26)9-5-6-12(23-7-9)14(27)25-11-4-2-1-3-10(11)22/h1-7H,8,22H2,(H,24,26)(H,25,27).
What are the key properties of 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide?
2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide has a molecular weight of 388.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminophenyl)-5-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 10430337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).