1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

C24H17ClF2N4O3 — CID 71492737

IUPAC1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(-n3cc(C(=O)NCc4ccc(F)cc4)ccc3=O)cc2F)c1Cl
InChIInChI=1S/C24H17ClF2N4O3/c25-22-20(9-10-29-23(22)28)34-19-7-6-17(11-18(19)27)31-13-15(3-8-21(31)32)24(33)30-12-14-1-4-16(26)5-2-14/h1-11,13H,12H2,(H2,28,29)(H,30,33)
InChIKeyGCCALMYGQWFOJR-UHFFFAOYSA-N
MW482.87 g/mol
LogP4.47
Rot. Bonds6

About 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 71492737) has the molecular formula C24H17ClF2N4O3 and a molecular weight of 482.87 g/mol. Its IUPAC name is 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID71492737
Molecular FormulaC24H17ClF2N4O3
Molecular Weight482.87 g/mol
Exact Mass482.10
IUPAC Name1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(-n3cc(C(=O)NCc4ccc(F)cc4)ccc3=O)cc2F)c1Cl
InChIInChI=1S/C24H17ClF2N4O3/c25-22-20(9-10-29-23(22)28)34-19-7-6-17(11-18(19)27)31-13-15(3-8-21(31)32)24(33)30-12-14-1-4-16(26)5-2-14/h1-11,13H,12H2,(H2,28,29)(H,30,33)
InChIKeyGCCALMYGQWFOJR-UHFFFAOYSA-N
XLogP4.47
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.87
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 71492737) is 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is Nc1nccc(Oc2ccc(-n3cc(C(=O)NCc4ccc(F)cc4)ccc3=O)cc2F)c1Cl.
What is the InChIKey of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is GCCALMYGQWFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N4O3/c25-22-20(9-10-29-23(22)28)34-19-7-6-17(11-18(19)27)31-13-15(3-8-21(31)32)24(33)30-12-14-1-4-16(26)5-2-14/h1-11,13H,12H2,(H2,28,29)(H,30,33).
What are the key properties of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 482.87 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 71492737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).