4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid

C20H16F3N3O5 — CID 117074156

IUPAC4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15N3O3.C2HF3O2/c1-24-15-4-2-13(3-5-15)17(22)21-16-10-14(11-20-18(16)23)12-6-8-19-9-7-12;3-2(4,5)1(6)7/h2-11H,1H3,(H,20,23)(H,21,22);(H,6,7)
InChIKeyBHXRQYZHAJHNQS-UHFFFAOYSA-N
MW435.36 g/mol
LogP3.33
Rot. Bonds4

About 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid

4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 117074156) has the molecular formula C20H16F3N3O5 and a molecular weight of 435.36 g/mol. Its IUPAC name is 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID117074156
Molecular FormulaC20H16F3N3O5
Molecular Weight435.36 g/mol
Exact Mass435.10
IUPAC Name4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H15N3O3.C2HF3O2/c1-24-15-4-2-13(3-5-15)17(22)21-16-10-14(11-20-18(16)23)12-6-8-19-9-7-12;3-2(4,5)1(6)7/h2-11H,1H3,(H,20,23)(H,21,22);(H,6,7)
InChIKeyBHXRQYZHAJHNQS-UHFFFAOYSA-N
XLogP3.33
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid (CID 117074156) is 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid is COc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is BHXRQYZHAJHNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3.C2HF3O2/c1-24-15-4-2-13(3-5-15)17(22)21-16-10-14(11-20-18(16)23)12-6-8-19-9-7-12;3-2(4,5)1(6)7/h2-11H,1H3,(H,20,23)(H,21,22);(H,6,7).
What are the key properties of 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid?
4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 435.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117074156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).