2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide

C23H23N9O4 — CID 90077690

IUPAC2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(CC(N)=O)CC5)c4c3n2)cn1
InChIInChI=1S/C23H23N9O4/c1-12(33)28-22-26-8-13(9-27-22)16-2-3-17-19(29-16)20-15(10-25-17)21(35)30-23(36)32(20)14-4-6-31(7-5-14)11-18(24)34/h2-3,8-10,14H,4-7,11H2,1H3,(H2,24,34)(H,30,35,36)(H,26,27,28,33)
InChIKeyFSYLYDYQXKFVBZ-UHFFFAOYSA-N
MW489.50 g/mol
LogP0.17
Rot. Bonds5

About 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide

2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide (PubChem CID 90077690) has the molecular formula C23H23N9O4 and a molecular weight of 489.50 g/mol. Its IUPAC name is 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
PubChem CID90077690
Molecular FormulaC23H23N9O4
Molecular Weight489.50 g/mol
Exact Mass489.19
IUPAC Name2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(CC(N)=O)CC5)c4c3n2)cn1
InChIInChI=1S/C23H23N9O4/c1-12(33)28-22-26-8-13(9-27-22)16-2-3-17-19(29-16)20-15(10-25-17)21(35)30-23(36)32(20)14-4-6-31(7-5-14)11-18(24)34/h2-3,8-10,14H,4-7,11H2,1H3,(H2,24,34)(H,30,35,36)(H,26,27,28,33)
InChIKeyFSYLYDYQXKFVBZ-UHFFFAOYSA-N
XLogP0.17
TPSA181.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide
CID 118329877
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-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329014
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
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-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329029
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
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-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089251

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide (CID 90077690) is 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide is CC(=O)Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(CC(N)=O)CC5)c4c3n2)cn1.
What is the InChIKey of 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
The InChIKey is FSYLYDYQXKFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O4/c1-12(33)28-22-26-8-13(9-27-22)16-2-3-17-19(29-16)20-15(10-25-17)21(35)30-23(36)32(20)14-4-6-31(7-5-14)11-18(24)34/h2-3,8-10,14H,4-7,11H2,1H3,(H2,24,34)(H,30,35,36)(H,26,27,28,33).
What are the key properties of 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide?
2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide has a molecular weight of 489.50 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90077690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).