N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide

C24H15F3N6O3 — CID 73438213

IUPACN-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C24H15F3N6O3/c1-12(34)30-19-8-5-13(10-29-19)17-6-7-18-20(31-17)21-16(11-28-18)22(35)32-23(36)33(21)15-4-2-3-14(9-15)24(25,26)27/h2-11H,1H3,(H,29,30,34)(H,32,35,36)
InChIKeyCJCDILMZNLYXAM-UHFFFAOYSA-N
MW492.42 g/mol
LogP3.66
Rot. Bonds3

About N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide

N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide (PubChem CID 73438213) has the molecular formula C24H15F3N6O3 and a molecular weight of 492.42 g/mol. Its IUPAC name is N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide
PubChem CID73438213
Molecular FormulaC24H15F3N6O3
Molecular Weight492.42 g/mol
Exact Mass492.12
IUPAC NameN-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C24H15F3N6O3/c1-12(34)30-19-8-5-13(10-29-19)17-6-7-18-20(31-17)21-16(11-28-18)22(35)32-23(36)33(21)15-4-2-3-14(9-15)24(25,26)27/h2-11H,1H3,(H,29,30,34)(H,32,35,36)
InChIKeyCJCDILMZNLYXAM-UHFFFAOYSA-N
XLogP3.66
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide (CID 73438213) is N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide?
The InChIKey is CJCDILMZNLYXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O3/c1-12(34)30-19-8-5-13(10-29-19)17-6-7-18-20(31-17)21-16(11-28-18)22(35)32-23(36)33(21)15-4-2-3-14(9-15)24(25,26)27/h2-11H,1H3,(H,29,30,34)(H,32,35,36).
What are the key properties of N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide?
N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide has a molecular weight of 492.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 73438213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).