2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide

C20H16F2N4O2 — CID 136949877

IUPAC2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide
SMILES[H]/N=C(\c1ccc(CC(N)=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C20H16F2N4O2/c21-13-2-1-3-14(22)19(13)26-15-8-9-25-20(28)17(15)18(24)12-6-4-11(5-7-12)10-16(23)27/h1-9,24H,10H2,(H2,23,27)(H2,25,26,28)/b24-18+
InChIKeySQAIOJASQWKYSI-HKOYGPOVSA-N
MW382.37 g/mol
LogP2.84
Rot. Bonds6

About 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide

2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide (PubChem CID 136949877) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide
PubChem CID136949877
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide
SMILES[H]/N=C(\c1ccc(CC(N)=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C20H16F2N4O2/c21-13-2-1-3-14(22)19(13)26-15-8-9-25-20(28)17(15)18(24)12-6-4-11(5-7-12)10-16(23)27/h1-9,24H,10H2,(H2,23,27)(H2,25,26,28)/b24-18+
InChIKeySQAIOJASQWKYSI-HKOYGPOVSA-N
XLogP2.84
TPSA111.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide?
The IUPAC name of 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide (CID 136949877) is 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide is [H]/N=C(\c1ccc(CC(N)=O)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O.
What is the InChIKey of 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide?
The InChIKey is SQAIOJASQWKYSI-HKOYGPOVSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c21-13-2-1-3-14(22)19(13)26-15-8-9-25-20(28)17(15)18(24)12-6-4-11(5-7-12)10-16(23)27/h1-9,24H,10H2,(H2,23,27)(H2,25,26,28)/b24-18+.
What are the key properties of 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide?
2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide has a molecular weight of 382.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]phenyl]acetamide is sourced from PubChem (CID 136949877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).