4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide

C24H17F2N5O4 — CID 141257744

IUPAC4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(NNC(=O)c3cccn(-c4ccc(F)cc4)c3=O)c(F)c2)ccn1
InChIInChI=1S/C24H17F2N5O4/c25-14-3-5-15(6-4-14)31-11-1-2-18(24(31)34)23(33)30-29-20-8-7-16(12-19(20)26)35-17-9-10-28-21(13-17)22(27)32/h1-13,29H,(H2,27,32)(H,30,33)
InChIKeyRPOLAAZWRQYUOQ-UHFFFAOYSA-N
MW477.43 g/mol
LogP3.16
Rot. Bonds7

About 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide

4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide (PubChem CID 141257744) has the molecular formula C24H17F2N5O4 and a molecular weight of 477.43 g/mol. Its IUPAC name is 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
PubChem CID141257744
Molecular FormulaC24H17F2N5O4
Molecular Weight477.43 g/mol
Exact Mass477.12
IUPAC Name4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Oc2ccc(NNC(=O)c3cccn(-c4ccc(F)cc4)c3=O)c(F)c2)ccn1
InChIInChI=1S/C24H17F2N5O4/c25-14-3-5-15(6-4-14)31-11-1-2-18(24(31)34)23(33)30-29-20-8-7-16(12-19(20)26)35-17-9-10-28-21(13-17)22(27)32/h1-13,29H,(H2,27,32)(H,30,33)
InChIKeyRPOLAAZWRQYUOQ-UHFFFAOYSA-N
XLogP3.16
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide (CID 141257744) is 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide is NC(=O)c1cc(Oc2ccc(NNC(=O)c3cccn(-c4ccc(F)cc4)c3=O)c(F)c2)ccn1.
What is the InChIKey of 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is RPOLAAZWRQYUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O4/c25-14-3-5-15(6-4-14)31-11-1-2-18(24(31)34)23(33)30-29-20-8-7-16(12-19(20)26)35-17-9-10-28-21(13-17)22(27)32/h1-13,29H,(H2,27,32)(H,30,33).
What are the key properties of 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide?
4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 477.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]hydrazinyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 141257744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).