N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide

C21H20N8O3 — CID 118329877

IUPACN-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCNCC5)c4c3n2)cn1
InChIInChI=1S/C21H20N8O3/c1-11(30)26-20-24-8-12(9-25-20)15-2-3-16-17(27-15)18-14(10-23-16)19(31)28-21(32)29(18)13-4-6-22-7-5-13/h2-3,8-10,13,22H,4-7H2,1H3,(H,28,31,32)(H,24,25,26,30)
InChIKeyPUENZAWPFAUADR-UHFFFAOYSA-N
MW432.44 g/mol
LogP0.97
Rot. Bonds3

About N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide

N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide (PubChem CID 118329877) has the molecular formula C21H20N8O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide
PubChem CID118329877
Molecular FormulaC21H20N8O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC NameN-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCNCC5)c4c3n2)cn1
InChIInChI=1S/C21H20N8O3/c1-11(30)26-20-24-8-12(9-25-20)15-2-3-16-17(27-15)18-14(10-23-16)19(31)28-21(32)29(18)13-4-6-22-7-5-13/h2-3,8-10,13,22H,4-7H2,1H3,(H,28,31,32)(H,24,25,26,30)
InChIKeyPUENZAWPFAUADR-UHFFFAOYSA-N
XLogP0.97
TPSA147.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
CID 90077690
9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329014
9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329857
9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 161369901
1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 123949458
1-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129088451
1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089229
9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089218
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329924
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329048
1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077787
9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077663

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide (CID 118329877) is N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide is CC(=O)Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCNCC5)c4c3n2)cn1.
What is the InChIKey of N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide?
The InChIKey is PUENZAWPFAUADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3/c1-11(30)26-20-24-8-12(9-25-20)15-2-3-16-17(27-15)18-14(10-23-16)19(31)28-21(32)29(18)13-4-6-22-7-5-13/h2-3,8-10,13,22H,4-7H2,1H3,(H,28,31,32)(H,24,25,26,30).
What are the key properties of N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide?
N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide has a molecular weight of 432.44 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 118329877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).