N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide

C24H17N5O3 — CID 43865197

IUPACN-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)cc1
InChIInChI=1S/C24H17N5O3/c1-15(30)26-16-5-7-17(8-6-16)28-12-9-20-18(23(28)31)14-19-21(27-20)10-13-29(24(19)32)22-4-2-3-11-25-22/h2-14H,1H3,(H,26,30)
InChIKeyZLDBZOAHAPHXTR-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.04
Rot. Bonds3

About N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide

N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide (PubChem CID 43865197) has the molecular formula C24H17N5O3 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide
PubChem CID43865197
Molecular FormulaC24H17N5O3
Molecular Weight423.43 g/mol
Exact Mass423.13
IUPAC NameN-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)cc1
InChIInChI=1S/C24H17N5O3/c1-15(30)26-16-5-7-17(8-6-16)28-12-9-20-18(23(28)31)14-19-21(27-20)10-13-29(24(19)32)22-4-2-3-11-25-22/h2-14H,1H3,(H,26,30)
InChIKeyZLDBZOAHAPHXTR-UHFFFAOYSA-N
XLogP3.04
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide (CID 43865197) is N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)cc1.
What is the InChIKey of N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide?
The InChIKey is ZLDBZOAHAPHXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3/c1-15(30)26-16-5-7-17(8-6-16)28-12-9-20-18(23(28)31)14-19-21(27-20)10-13-29(24(19)32)22-4-2-3-11-25-22/h2-14H,1H3,(H,26,30).
What are the key properties of N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide?
N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide has a molecular weight of 423.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,9-dioxo-2-pyridin-2-ylpyrido[4,3-b][1,6]naphthyridin-8-yl)phenyl]acetamide is sourced from PubChem (CID 43865197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).