1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide

C24H17FN4O5 — CID 22991867

IUPAC1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCOc1ccc2cc(Oc3cc(-n4c(=O)cc(C(N)=O)n(C)c4=O)c(F)cc3C#N)ccc2c1
InChIInChI=1S/C24H17FN4O5/c1-28-20(23(27)31)11-22(30)29(24(28)32)19-10-21(15(12-26)9-18(19)25)34-17-6-4-13-7-16(33-2)5-3-14(13)8-17/h3-11H,1-2H3,(H2,27,31)
InChIKeyOVCVMBRYEIZAPP-UHFFFAOYSA-N
MW460.42 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide

1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 22991867) has the molecular formula C24H17FN4O5 and a molecular weight of 460.42 g/mol. Its IUPAC name is 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID22991867
Molecular FormulaC24H17FN4O5
Molecular Weight460.42 g/mol
Exact Mass460.12
IUPAC Name1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCOc1ccc2cc(Oc3cc(-n4c(=O)cc(C(N)=O)n(C)c4=O)c(F)cc3C#N)ccc2c1
InChIInChI=1S/C24H17FN4O5/c1-28-20(23(27)31)11-22(30)29(24(28)32)19-10-21(15(12-26)9-18(19)25)34-17-6-4-13-7-16(33-2)5-3-14(13)8-17/h3-11H,1-2H3,(H2,27,31)
InChIKeyOVCVMBRYEIZAPP-UHFFFAOYSA-N
XLogP2.60
TPSA129.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide (CID 22991867) is 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide is COc1ccc2cc(Oc3cc(-n4c(=O)cc(C(N)=O)n(C)c4=O)c(F)cc3C#N)ccc2c1.
What is the InChIKey of 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is OVCVMBRYEIZAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O5/c1-28-20(23(27)31)11-22(30)29(24(28)32)19-10-21(15(12-26)9-18(19)25)34-17-6-4-13-7-16(33-2)5-3-14(13)8-17/h3-11H,1-2H3,(H2,27,31).
What are the key properties of 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-fluoro-5-(6-methoxynaphthalen-2-yl)oxyphenyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 22991867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).