N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide

C27H24N6O3 — CID 129088403

IUPACN-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5ccc(C(C)(C)C)cc5)c4c3n2)cn1
InChIInChI=1S/C27H24N6O3/c1-15(34)30-22-12-5-16(13-29-22)20-10-11-21-23(31-20)24-19(14-28-21)25(35)32-26(36)33(24)18-8-6-17(7-9-18)27(2,3)4/h5-14H,1-4H3,(H,29,30,34)(H,32,35,36)
InChIKeyHMYYNZBCWYQHML-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.94
Rot. Bonds3

About N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide

N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide (PubChem CID 129088403) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide
PubChem CID129088403
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC NameN-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5ccc(C(C)(C)C)cc5)c4c3n2)cn1
InChIInChI=1S/C27H24N6O3/c1-15(34)30-22-12-5-16(13-29-22)20-10-11-21-23(31-20)24-19(14-28-21)25(35)32-26(36)33(24)18-8-6-17(7-9-18)27(2,3)4/h5-14H,1-4H3,(H,29,30,34)(H,32,35,36)
InChIKeyHMYYNZBCWYQHML-UHFFFAOYSA-N
XLogP3.94
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.94
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-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide (CID 129088403) is N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5ccc(C(C)(C)C)cc5)c4c3n2)cn1.
What is the InChIKey of N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide?
The InChIKey is HMYYNZBCWYQHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-15(34)30-22-12-5-16(13-29-22)20-10-11-21-23(31-20)24-19(14-28-21)25(35)32-26(36)33(24)18-8-6-17(7-9-18)27(2,3)4/h5-14H,1-4H3,(H,29,30,34)(H,32,35,36).
What are the key properties of N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide?
N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide has a molecular weight of 480.53 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-tert-butylphenyl)-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 129088403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).