N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide

C23H25N7O4 — CID 25007833

IUPACN-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CC)c1=O
InChIInChI=1S/C23H25N7O4/c1-4-28-20-18(22(32)29(5-2)23(28)33)26-19(27-20)15-8-9-17(25-14-15)30(11-12-34-3)21(31)16-7-6-10-24-13-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,26,27)
InChIKeyLIYYNKACLARBMT-UHFFFAOYSA-N
MW463.50 g/mol
LogP1.68
Rot. Bonds8

About N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide

N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 25007833) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID25007833
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC NameN-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CC)c1=O
InChIInChI=1S/C23H25N7O4/c1-4-28-20-18(22(32)29(5-2)23(28)33)26-19(27-20)15-8-9-17(25-14-15)30(11-12-34-3)21(31)16-7-6-10-24-13-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,26,27)
InChIKeyLIYYNKACLARBMT-UHFFFAOYSA-N
XLogP1.68
TPSA128.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-fluoro-N-[5-[1-(2-methoxyethyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 167256442
3,4-difluoro-N-[5-[1-(4-methoxybutyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[3-(2-oxo-1-pyridinyl)propyl]benzamide
CID 167256213
8-(6-chloro-3-pyridinyl)-1,3-diethyl-7H-purine-2,6-dione
CID 87251417
4-fluoro-N-[5-[1-(3-methoxypropyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]benzamide
CID 167256215
3,4-difluoro-N-[5-[1-(4-methoxybutyl)-2,6-dioxo-3-propyl-7H-purin-8-yl]-2-pyridinyl]-N-[3-(2-oxopiperidin-1-yl)propyl]benzamide
CID 167256353
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
N-[5-[3-(2-acetamidoethyl)-2,6-dioxo-1-propyl-7H-purin-8-yl]-2-pyridinyl]-4-fluoro-N-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]benzamide
CID 167256226
3-(3-chlorophenyl)-1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 159341814
methyl 2-[[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]amino]acetate
CID 67054417
8-[6-[(2-oxo-2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione
CID 67054424
N-[5-(3-cyclopropyl-2,6-dioxo-1-propyl-7H-purin-8-yl)-2-pyridinyl]-4-fluoro-N-[3-(1-oxo-3,4-dihydroisoquinolin-2-yl)propyl]benzamide
CID 167256199
2-[4-[1-ethyl-3-(3-methoxypropyl)-2,6-dioxo-7H-purin-8-yl]phenoxy]-N-(1,2-oxazol-3-yl)acetamide
CID 45267991

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 25007833) is N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide is CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CC)c1=O.
What is the InChIKey of N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is LIYYNKACLARBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-4-28-20-18(22(32)29(5-2)23(28)33)26-19(27-20)15-8-9-17(25-14-15)30(11-12-34-3)21(31)16-7-6-10-24-13-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,26,27).
What are the key properties of N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25007833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).