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

C19H14F2N4O2 — CID 136997286

IUPAC3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
SMILES[H]/N=C(\c1cccc(C(N)=O)c1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C19H14F2N4O2/c20-12-5-2-6-13(21)17(12)25-14-7-8-24-19(27)15(14)16(22)10-3-1-4-11(9-10)18(23)26/h1-9,22H,(H2,23,26)(H2,24,25,27)/b22-16+
InChIKeyTYZKMASHMARVDN-CJLVFECKSA-N
MW368.34 g/mol
LogP2.91
Rot. Bonds5

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

3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide (PubChem CID 136997286) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide.

Molecular Properties

Compound Name3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
PubChem CID136997286
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide
SMILES[H]/N=C(\c1cccc(C(N)=O)c1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O
InChIInChI=1S/C19H14F2N4O2/c20-12-5-2-6-13(21)17(12)25-14-7-8-24-19(27)15(14)16(22)10-3-1-4-11(9-10)18(23)26/h1-9,22H,(H2,23,26)(H2,24,25,27)/b22-16+
InChIKeyTYZKMASHMARVDN-CJLVFECKSA-N
XLogP2.91
TPSA111.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide?
The IUPAC name of 3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide (CID 136997286) is 3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide.
What is the SMILES notation for 3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide?
The canonical SMILES for 3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide is [H]/N=C(\c1cccc(C(N)=O)c1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O.
What is the InChIKey of 3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide?
The InChIKey is TYZKMASHMARVDN-CJLVFECKSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c20-12-5-2-6-13(21)17(12)25-14-7-8-24-19(27)15(14)16(22)10-3-1-4-11(9-10)18(23)26/h1-9,22H,(H2,23,26)(H2,24,25,27)/b22-16+.
What are the key properties of 3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide?
3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide has a molecular weight of 368.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-difluoroanilino)-2-oxo-1H-pyridine-3-carboximidoyl]benzamide is sourced from PubChem (CID 136997286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).