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

C25H19ClF2N4O4 — CID 71494057

IUPAC1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(Oc3ccnc(N)c3Cl)c(F)c2)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H19ClF2N4O4/c1-35-21-11-22(33)32(13-17(21)25(34)31-12-14-2-4-15(27)5-3-14)16-6-7-19(18(28)10-16)36-20-8-9-30-24(29)23(20)26/h2-11,13H,12H2,1H3,(H2,29,30)(H,31,34)
InChIKeyQTYZEYQAKKAESB-UHFFFAOYSA-N
MW512.90 g/mol
LogP4.48
Rot. Bonds7

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

1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide (PubChem CID 71494057) has the molecular formula C25H19ClF2N4O4 and a molecular weight of 512.90 g/mol. Its IUPAC name is 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide
PubChem CID71494057
Molecular FormulaC25H19ClF2N4O4
Molecular Weight512.90 g/mol
Exact Mass512.11
IUPAC Name1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(Oc3ccnc(N)c3Cl)c(F)c2)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H19ClF2N4O4/c1-35-21-11-22(33)32(13-17(21)25(34)31-12-14-2-4-15(27)5-3-14)16-6-7-19(18(28)10-16)36-20-8-9-30-24(29)23(20)26/h2-11,13H,12H2,1H3,(H2,29,30)(H,31,34)
InChIKeyQTYZEYQAKKAESB-UHFFFAOYSA-N
XLogP4.48
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.90
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-4-methoxy-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide (CID 71494057) is 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-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]-4-methoxy-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide is COc1cc(=O)n(-c2ccc(Oc3ccnc(N)c3Cl)c(F)c2)cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide?
The InChIKey is QTYZEYQAKKAESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N4O4/c1-35-21-11-22(33)32(13-17(21)25(34)31-12-14-2-4-15(27)5-3-14)16-6-7-19(18(28)10-16)36-20-8-9-30-24(29)23(20)26/h2-11,13H,12H2,1H3,(H2,29,30)(H,31,34).
What are the key properties of 1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide?
1-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N-[(4-fluorophenyl)methyl]-4-methoxy-6-oxopyridine-3-carboxamide has a molecular weight of 512.90 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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]-4-methoxy-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 71494057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).