N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide

C29H39N7O5 — CID 167255708

IUPACN-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(N(C(=O)C4CCCC4)C(C)CN4CCCC4=O)nc3)nc2n(CCOC)c1=O
InChIInChI=1S/C29H39N7O5/c1-4-13-35-28(39)24-26(34(29(35)40)15-16-41-3)32-25(31-24)21-11-12-22(30-17-21)36(27(38)20-8-5-6-9-20)19(2)18-33-14-7-10-23(33)37/h11-12,17,19-20H,4-10,13-16,18H2,1-3H3,(H,31,32)
InChIKeyQKXGDBAMZHGWNO-UHFFFAOYSA-N
MW565.68 g/mol
LogP2.54
Rot. Bonds11

About N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide

N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide (PubChem CID 167255708) has the molecular formula C29H39N7O5 and a molecular weight of 565.68 g/mol. Its IUPAC name is N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide
PubChem CID167255708
Molecular FormulaC29H39N7O5
Molecular Weight565.68 g/mol
Exact Mass565.30
IUPAC NameN-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(N(C(=O)C4CCCC4)C(C)CN4CCCC4=O)nc3)nc2n(CCOC)c1=O
InChIInChI=1S/C29H39N7O5/c1-4-13-35-28(39)24-26(34(29(35)40)15-16-41-3)32-25(31-24)21-11-12-22(30-17-21)36(27(38)20-8-5-6-9-20)19(2)18-33-14-7-10-23(33)37/h11-12,17,19-20H,4-10,13-16,18H2,1-3H3,(H,31,32)
InChIKeyQKXGDBAMZHGWNO-UHFFFAOYSA-N
XLogP2.54
TPSA135.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.68
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

8-(4-Pyridyl)theophylline
CID 121006
8-(3-Pyridyl)theophylline
CID 100380
3,7-Bis(2-methylpropyl)-8-pyridin-3-ylpurine-2,6-dione
CID 4330321
1,3-Dipropyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione
CID 11494063
1,3-Diisobutyl-7-phenyl-1H,8H-imidazo[2,1-f]purine-2,4-dione
CID 11717832
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[3-[4-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]purine-2,6-dione
CID 141750312
7-Butyl-3-(2-methylpropyl)-8-pyridin-4-ylpurine-2,6-dione
CID 3965785
1,3-Dipropyl-8-pyridin-3-yl-3,7-dihydro-purine-2,6-dione
CID 14843009
3-Methyl-1-propyl-8-pyridin-3-yl-3,7-dihydro-purine-2,6-dione
CID 14843010
1-Methyl-3-propyl-8-pyridin-3-yl-3,7-dihydro-purine-2,6-dione
CID 14843011
1,3-Dipropyl-8-pyridin-4-yl-3,7-dihydro-purine-2,6-dione
CID 14843012
3-Methyl-1-propyl-8-pyridin-4-yl-3,7-dihydro-purine-2,6-dione
CID 14843013

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide (CID 167255708) is N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide is CCCn1c(=O)c2[nH]c(-c3ccc(N(C(=O)C4CCCC4)C(C)CN4CCCC4=O)nc3)nc2n(CCOC)c1=O.
What is the InChIKey of N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide?
The InChIKey is QKXGDBAMZHGWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O5/c1-4-13-35-28(39)24-26(34(29(35)40)15-16-41-3)32-25(31-24)21-11-12-22(30-17-21)36(27(38)20-8-5-6-9-20)19(2)18-33-14-7-10-23(33)37/h11-12,17,19-20H,4-10,13-16,18H2,1-3H3,(H,31,32).
What are the key properties of N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide?
N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide has a molecular weight of 565.68 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-methoxyethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 167255708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).