N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide

C24H24N8O5 — CID 90077586

IUPACN-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(C(=O)[C@@H](C)O)CC5)c4c3n2)cn1
InChIInChI=1S/C24H24N8O5/c1-12(33)22(36)31-7-5-15(6-8-31)32-20-16(21(35)30-24(32)37)11-25-18-4-3-17(29-19(18)20)14-9-26-23(27-10-14)28-13(2)34/h3-4,9-12,15,33H,5-8H2,1-2H3,(H,30,35,37)(H,26,27,28,34)/t12-/m1/s1
InChIKeyVOPYNOSXPRPWKQ-GFCCVEGCSA-N
MW504.51 g/mol
LogP0.59
Rot. Bonds4

About N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide

N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide (PubChem CID 90077586) has the molecular formula C24H24N8O5 and a molecular weight of 504.51 g/mol. Its IUPAC name is N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide
PubChem CID90077586
Molecular FormulaC24H24N8O5
Molecular Weight504.51 g/mol
Exact Mass504.19
IUPAC NameN-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(C(=O)[C@@H](C)O)CC5)c4c3n2)cn1
InChIInChI=1S/C24H24N8O5/c1-12(33)22(36)31-7-5-15(6-8-31)32-20-16(21(35)30-24(32)37)11-25-18-4-3-17(29-19(18)20)14-9-26-23(27-10-14)28-13(2)34/h3-4,9-12,15,33H,5-8H2,1-2H3,(H,30,35,37)(H,26,27,28,34)/t12-/m1/s1
InChIKeyVOPYNOSXPRPWKQ-GFCCVEGCSA-N
XLogP0.59
TPSA176.06 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 50.59
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide (CID 90077586) is N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide is CC(=O)Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(C(=O)[C@@H](C)O)CC5)c4c3n2)cn1.
What is the InChIKey of N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide?
The InChIKey is VOPYNOSXPRPWKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H24N8O5/c1-12(33)22(36)31-7-5-15(6-8-31)32-20-16(21(35)30-24(32)37)11-25-18-4-3-17(29-19(18)20)14-9-26-23(27-10-14)28-13(2)34/h3-4,9-12,15,33H,5-8H2,1-2H3,(H,30,35,37)(H,26,27,28,34)/t12-/m1/s1.
What are the key properties of N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide?
N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide has a molecular weight of 504.51 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-2,4-dioxopyrimido[5,4-h][1,5]naphthyridin-9-yl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 90077586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).