N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide

C20H16F2N4O2 — CID 142489319

IUPACN-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C20H16F2N4O2/c21-13-3-1-12(2-4-13)9-19(27)25-15-6-8-18(24-11-15)20(28)26-17-7-5-14(22)10-16(17)23/h1-8,10-11H,9,23H2,(H,25,27)(H,26,28)
InChIKeyUILCCVKVTDINGS-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.38
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide

N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 142489319) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide
PubChem CID142489319
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C20H16F2N4O2/c21-13-3-1-12(2-4-13)9-19(27)25-15-6-8-18(24-11-15)20(28)26-17-7-5-14(22)10-16(17)23/h1-8,10-11H,9,23H2,(H,25,27)(H,26,28)
InChIKeyUILCCVKVTDINGS-UHFFFAOYSA-N
XLogP3.38
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide (CID 142489319) is N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide is Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cn1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is UILCCVKVTDINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c21-13-3-1-12(2-4-13)9-19(27)25-15-6-8-18(24-11-15)20(28)26-17-7-5-14(22)10-16(17)23/h1-8,10-11H,9,23H2,(H,25,27)(H,26,28).
What are the key properties of N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide?
N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-5-[[2-(4-fluorophenyl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 142489319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).