N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide

C27H35N7O5 — CID 167256361

IUPACN-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide
SMILESCCCn1c(=O)n(CCOC)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4=O)C(=O)C4CC4)nc3)nc21
InChIInChI=1S/C27H35N7O5/c1-3-11-33-24-22(26(37)34(27(33)38)15-16-39-2)29-23(30-24)19-9-10-20(28-17-19)32(25(36)18-7-8-18)14-13-31-12-5-4-6-21(31)35/h9-10,17-18H,3-8,11-16H2,1-2H3,(H,29,30)
InChIKeyCPPKSJUXVYVJJG-UHFFFAOYSA-N
MW537.62 g/mol
LogP1.76
Rot. Bonds11

About N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide

N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 167256361) has the molecular formula C27H35N7O5 and a molecular weight of 537.62 g/mol. Its IUPAC name is N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID167256361
Molecular FormulaC27H35N7O5
Molecular Weight537.62 g/mol
Exact Mass537.27
IUPAC NameN-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide
SMILESCCCn1c(=O)n(CCOC)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4=O)C(=O)C4CC4)nc3)nc21
InChIInChI=1S/C27H35N7O5/c1-3-11-33-24-22(26(37)34(27(33)38)15-16-39-2)29-23(30-24)19-9-10-20(28-17-19)32(25(36)18-7-8-18)14-13-31-12-5-4-6-21(31)35/h9-10,17-18H,3-8,11-16H2,1-2H3,(H,29,30)
InChIKeyCPPKSJUXVYVJJG-UHFFFAOYSA-N
XLogP1.76
TPSA135.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide (CID 167256361) is N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide is CCCn1c(=O)n(CCOC)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4=O)C(=O)C4CC4)nc3)nc21.
What is the InChIKey of N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is CPPKSJUXVYVJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O5/c1-3-11-33-24-22(26(37)34(27(33)38)15-16-39-2)29-23(30-24)19-9-10-20(28-17-19)32(25(36)18-7-8-18)14-13-31-12-5-4-6-21(31)35/h9-10,17-18H,3-8,11-16H2,1-2H3,(H,29,30).
What are the key properties of N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide?
N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 537.62 g/mol, XLogP of 1.76, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 167256361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).